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Analogs

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Popular Name: 4-[(4-methyl-3-nitro-phenoxy)methyl]piperidine 4-[(4-methyl-3-nitro-phenoxy)met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 7.05 -47.14 2 5 1 72 251.306 4 ↓

Analogs

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Popular Name: 5-chloro-2-(4-piperidylmethoxy)benzamide 5-chloro-2-(4-piperidylmethoxy)b…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.17 4.28 -43.97 4 4 1 69 269.752 4 ↓

Analogs

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Popular Name: 5-chloro-2-(4-piperidylmethoxy)benzonitrile 5-chloro-2-(4-piperidylmethoxy)b…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.56 6.64 -44.49 2 3 1 50 251.737 3 ↓

Analogs

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Popular Name: 2-chloro-6-(4-piperidylmethoxy)benzonitrile 2-chloro-6-(4-piperidylmethoxy)b…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 6.55 -46.29 2 3 1 50 251.737 3 ↓

Analogs

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Popular Name: 2-chloro-6-(4-piperidylmethoxy)benzamide 2-chloro-6-(4-piperidylmethoxy)b…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.60 2.83 -47.33 4 4 1 69 269.752 4 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.70 8.38 -8.26 0 4 0 39 277.364 5 ↓

Analogs

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Popular Name: N-[3-[[(1R)-1-methylpropyl]amino]-3-oxo-propyl]-4-(phenoxymethyl)piperidine-1-carboxamide N-[3-[[(1R)-1-methylpropyl]amino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 7.58 -20.11 2 6 0 71 361.486 8 ↓

Analogs

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Popular Name: N-[3-[[(1S)-1-methylpropyl]amino]-3-oxo-propyl]-4-(phenoxymethyl)piperidine-1-carboxamide N-[3-[[(1S)-1-methylpropyl]amino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 7.55 -18.05 2 6 0 71 361.486 8 ↓

Analogs

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Popular Name: 4-[(2,3-difluorophenoxy)methyl]piperidine 4-[(2,3-difluorophenoxy)methyl]p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.43 5.84 -44.88 2 2 1 26 228.262 3 ↓

Analogs

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Popular Name: 4-chloro-2-(4-piperidylmethoxy)benzamide 4-chloro-2-(4-piperidylmethoxy)b…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.17 4.28 -43.62 4 4 1 69 269.752 4 ↓

Analogs

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Popular Name: 4-chloro-2-(4-piperidylmethoxy)benzonitrile 4-chloro-2-(4-piperidylmethoxy)b…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.56 6.65 -42.73 2 3 1 50 251.737 3 ↓

Analogs

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Popular Name: 3-chloro-4-(4-piperidylmethoxy)benzonitrile 3-chloro-4-(4-piperidylmethoxy)b…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.56 6.66 -45.49 2 3 1 50 251.737 3 ↓

Analogs

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Popular Name: 3-chloro-4-(4-piperidylmethoxy)benzamide 3-chloro-4-(4-piperidylmethoxy)b…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.63 3.07 -46.1 4 4 1 69 269.752 4 ↓

Analogs

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Popular Name: N-Isopropyl-4-(piperidin-4-ylmethoxy)benzamide hydrochloride N-Isopropyl-4-(piperidin-4-ylmet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.07 5.67 -46.8 3 4 1 55 277.388 5 ↓

Analogs

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Popular Name: 4-[(2,5-dimethyl-4-nitro-phenoxy)methyl]piperidine 4-[(2,5-dimethyl-4-nitro-phenoxy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.91 7.79 -47.42 2 5 1 72 265.333 4 ↓

Analogs

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Popular Name: 4-[(3,5-difluorophenoxy)methyl]piperidine 4-[(3,5-difluorophenoxy)methyl]p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.46 5.85 -41.36 2 2 1 26 228.262 3 ↓

Analogs

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Popular Name: 1-(N-Boc-Piperidin-4-ylmethoxy)-3,5-dibromobenzene 1-(N-Boc-Piperidin-4-ylmethoxy)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.38 10.02 -6.69 0 4 0 39 449.183 5 ↓

Analogs

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Popular Name: tert-Butyl 4-((3-bromophenoxy)methyl)piperidine-1-carboxylate tert-Butyl 4-((3-bromophenoxy)me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.62 9.41 -7.81 0 4 0 39 370.287 5 ↓

Analogs

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Popular Name: 4-(phenoxymethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine 4-(phenoxymethyl)-1-[3-(2,2,2-tr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.98 9.84 -42.36 1 3 1 23 332.386 9 ↓

Analogs

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Popular Name: N-ethyl-3-[4-(phenoxymethyl)-1-piperidyl]propanamide N-ethyl-3-[4-(phenoxymethyl)-1-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.55 7.71 -43.6 2 4 1 43 291.415 7 ↓

Analogs

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Popular Name: 1-(2-methylallyl)-4-(phenoxymethyl)piperidine 1-(2-methylallyl)-4-(phenoxymeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.99 9.77 -34.4 1 2 1 14 246.374 5 ↓
Hi High (pH 8-9.5) 3.99 7.57 -2.95 0 2 0 12 245.366 5 ↓

Analogs

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Popular Name: (2R)-N,N-diethyl-2-[4-(phenoxymethyl)-1-piperidyl]propanamide (2R)-N,N-diethyl-2-[4-(phenoxyme…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.23 10.38 -36.86 1 4 1 34 319.469 7 ↓
Hi High (pH 8-9.5) 3.23 8.11 -9.26 0 4 0 33 318.461 7 ↓

Analogs

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Popular Name: (2S)-N,N-diethyl-2-[4-(phenoxymethyl)-1-piperidyl]propanamide (2S)-N,N-diethyl-2-[4-(phenoxyme…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.23 10.45 -37.46 1 4 1 34 319.469 7 ↓
Hi High (pH 8-9.5) 3.23 8.09 -8.17 0 4 0 33 318.461 7 ↓

Analogs

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Popular Name: (2S)-N-(3-methoxypropyl)-2-[4-(phenoxymethyl)-1-piperidyl]propanamide (2S)-N-(3-methoxypropyl)-2-[4-(p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.49 7.35 -40.06 2 5 1 52 335.468 9 ↓
Hi High (pH 8-9.5) 2.49 5.21 -9.22 1 5 0 51 334.46 9 ↓

Analogs

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Popular Name: N-(3-methoxypropyl)-2-[4-(phenoxymethyl)-1-piperidyl]acetamide N-(3-methoxypropyl)-2-[4-(phenox…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.66 6.98 -41.5 2 5 1 52 321.441 9 ↓
Hi High (pH 8-9.5) 2.66 4.8 -9.42 1 5 0 51 320.433 9 ↓

Analogs

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Popular Name: N-(butylcarbamoyl)-2-[4-(phenoxymethyl)-1-piperidyl]acetamide N-(butylcarbamoyl)-2-[4-(phenoxy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.49 8.8 -52.53 3 6 1 72 348.467 8 ↓
Hi High (pH 8-9.5) 3.49 6.63 -18.48 2 6 0 71 347.459 8 ↓

Analogs

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Popular Name: 2-[methyl-[2-[4-(phenoxymethyl)-1-piperidyl]acetyl]amino]-N-propyl-acetamide 2-[methyl-[2-[4-(phenoxymethyl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.63 8.73 -42.86 2 6 1 63 362.494 9 ↓
Hi High (pH 8-9.5) 2.63 6.53 -14.76 1 6 0 62 361.486 9 ↓

Analogs

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Popular Name: N-methyl-2-[4-(phenoxymethyl)-1-piperidyl]acetamide N-methyl-2-[4-(phenoxymethyl)-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.40 6.31 -40.02 2 4 1 43 263.361 5 ↓
Hi High (pH 8-9.5) 2.40 4.13 -9.3 1 4 0 42 262.353 5 ↓

Analogs

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Popular Name: N-allyl-2-[4-(phenoxymethyl)-1-piperidyl]acetamide N-allyl-2-[4-(phenoxymethyl)-1-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.05 7.7 -39.87 2 4 1 43 289.399 7 ↓
Hi High (pH 8-9.5) 3.05 5.52 -8.57 1 4 0 42 288.391 7 ↓

Analogs

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Popular Name: 1-(2-isopropoxyethyl)-4-(phenoxymethyl)piperidine 1-(2-isopropoxyethyl)-4-(phenoxy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 9.48 -34.53 1 3 1 23 278.416 7 ↓
Hi High (pH 8-9.5) 3.52 7.16 -4.35 0 3 0 22 277.408 7 ↓

Analogs

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Popular Name: N,N-diethyl-2-[4-(phenoxymethyl)-1-piperidyl]acetamide N,N-diethyl-2-[4-(phenoxymethyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.90 10.15 -38.95 1 4 1 34 305.442 7 ↓
Hi High (pH 8-9.5) 2.90 7.95 -8.68 0 4 0 33 304.434 7 ↓

Analogs

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Popular Name: 2-[4-(phenoxymethyl)-1-piperidyl]-N-propyl-acetamide 2-[4-(phenoxymethyl)-1-piperidyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 7.91 -40.03 2 4 1 43 291.415 7 ↓
Hi High (pH 8-9.5) 3.28 5.74 -8.78 1 4 0 42 290.407 7 ↓

Analogs

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Popular Name: 1-[4-(phenoxymethyl)-1-piperidyl]ethanone 1-[4-(phenoxymethyl)-1-piperidyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.16 6.88 -8.99 0 3 0 30 233.311 3 ↓

Analogs

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Popular Name: 3-methyl-1-[4-(phenoxymethyl)-1-piperidyl]butan-1-one 3-methyl-1-[4-(phenoxymethyl)-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.77 9.08 -9.58 0 3 0 30 275.392 5 ↓

Analogs

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Popular Name: 2,2-dimethyl-1-[4-(phenoxymethyl)-1-piperidyl]propan-1-one 2,2-dimethyl-1-[4-(phenoxymethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.82 8.37 -10.33 0 3 0 30 275.392 4 ↓

Analogs

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Popular Name: (2R)-2-methyl-1-[4-(phenoxymethyl)-1-piperidyl]butan-1-one (2R)-2-methyl-1-[4-(phenoxymethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.74 8.88 -9.81 0 3 0 30 275.392 5 ↓

Analogs

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Popular Name: (2S)-2-methyl-1-[4-(phenoxymethyl)-1-piperidyl]butan-1-one (2S)-2-methyl-1-[4-(phenoxymethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.74 8.87 -10.04 0 3 0 30 275.392 5 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.60 8.56 -16.25 0 6 0 59 334.416 7 ↓

Analogs

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Popular Name: 4-[(5-bromo-2-chloro-phenoxy)methyl]piperidine 4-[(5-bromo-2-chloro-phenoxy)met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.62 6.9 -39.94 2 2 1 26 305.623 3 ↓

Analogs

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Popular Name: 4-[(2-chloro-5-nitro-phenoxy)methyl]piperidine 4-[(2-chloro-5-nitro-phenoxy)met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.77 6.99 -43.12 2 5 1 72 271.724 4 ↓

Analogs

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Popular Name: 4-[[3-(methoxymethyl)phenoxy]methyl]piperidine 4-[[3-(methoxymethyl)phenoxy]met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.13 5.44 -41.52 2 3 1 35 236.335 5 ↓

Analogs

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Popular Name: N-isopropyl-4-(phenoxymethyl)piperidine-1-carboxamide N-isopropyl-4-(phenoxymethyl)pip…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.67 7.5 -10.9 1 4 0 42 276.38 4 ↓

Analogs

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Popular Name: N-methyl-4-(phenoxymethyl)piperidine-1-carboxamide N-methyl-4-(phenoxymethyl)piperi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.00 5.85 -11.34 1 4 0 42 248.326 3 ↓

Analogs

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Popular Name: 4-Chloro-2-methylphenyl 4-piperidinylmethyl ether hydrochloride 4-Chloro-2-methylphenyl 4-piperi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.26 6.97 -41.08 2 2 1 26 240.754 3 ↓

Analogs

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Popular Name: 3-(4-piperidylmethoxy)benzonitrile 3-(4-piperidylmethoxy)benzonitrile

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.93 6.1 -44.45 2 3 1 50 217.292 3 ↓

Analogs

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Popular Name: Ethyl 3-(4-piperidinylmethoxy)benzoate hydrochloride Ethyl 3-(4-piperidinylmethoxy)be…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.72 7.29 -44.73 2 4 1 52 264.345 6 ↓

Analogs

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Popular Name: 4-{[4-(Trifluoromethyl)phenoxy]methyl}piperidinehydrochloride 4-{[4-(Trifluoromethyl)phenoxy]m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.10 6.71 -42.06 2 2 1 26 260.279 4 ↓

Analogs

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Popular Name: 4-(4-piperidylmethoxy)benzonitrile 4-(4-piperidylmethoxy)benzonitrile

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.96 6.11 -44.92 2 3 1 50 217.292 3 ↓

Analogs

57836437
57836437

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Popular Name: MFCD13560944 MFCD13560944

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 7.3 -44.66 2 4 1 52 264.345 6 ↓

Analogs

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Popular Name: 4-[(2-fluoro-4-methyl-phenoxy)methyl]piperidine 4-[(2-fluoro-4-methyl-phenoxy)me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.74 6.45 -41.8 2 2 1 26 224.299 3 ↓

Parameters Provided:

ring.id = 6479
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 6479 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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