| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 12 | Yes |
Popular Name: 4-Phenylpiperidine 4-Phenylpiperidine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10272-49-8 , 16226-66-7 , 771-99-3 , [10272-49-8] , [771-99-3]
4-Phenyl-piperidine hydrochloride
4-Phenylpiperidine hydrobromide
4-Phenylpiperidine hydrochloride
| 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) | 2.22 | -0.59 | -40.61 | 2 | 1 | 1 | 17 | 162.256 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 149 - 151 | Enamine Building Blocks |
| MP | 149...151 | Enamine Building Blocks |
| BP [°C] | 255 - 257 (p=727 torr) | Acros Organics |
| Mp [°C] | 57 - 63 | Acros Organics |
| MP | 65-66° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| Purity | 99% | Fluorochem |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT, KEEP COLD | Matrix Scientific |
| Warnings | Irritant/Store in Freezer | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A-1-E | Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1520 | 0.68 | Binding ≤ 10μM |
| SGMR1-4-E | Sigma Opioid Receptor (cluster #4 Of 6), Eukaryotic | Eukaryotes | 1980 | 0.67 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 1520 | 0.68 | Binding ≤ 10μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 1980 | 0.67 | Binding ≤ 10μM |
