UCSF

ZINC00204584

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 14 Yes

Popular Name: 2-(Piperidylmethyl)-1-cyclohexanone hydrochloride 2-(Piperidylmethyl)-1-cyclohexan…

Find On: PubMed — Wikipedia — Google

CAS Number: 6966-09-2

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) 2.20 7.78 -34.99 1 2 1 22 196.314 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 166 - 170 Acros Organics
PUBCHEM_PATENT_ID EP0911039A2; EP1021204A2; US5446070; US5656286; US5719197; US5980882; US6024976; WO1996040086A2; WO1999015210A2; WO2000048636A1 IBM Patent Data
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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