UCSF

ZINC19437085

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 14 Yes

Popular Name: 1-ethyl-4-piperidin-4-ylpiperazine 1-ethyl-4-piperidin-4-ylpiperazine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1181457-79-3 , 202991-77-3 , 435341-92-7

Download: MOL2 SDF SMILES Flexibase

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) 0.43 3.4 -86.98 3 3 2 24 199.342 2 ↓
Hi High (pH 8-9.5) 0.43 1.02 -40.46 2 3 1 23 198.334 2 ↓
Mid Mid (pH 6-8) 0.43 1.88 -32.83 2 3 1 20 198.334 2 ↓
Mid Mid (pH 6-8) 0.43 3.3 -101.33 3 3 2 24 199.342 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 324 - 326 Enamine Building Blocks
MP 324...326 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )