UCSF

ZINC32445492

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2009 12 Yes

Popular Name: 2-Pyrrolidin-1-ylmethyl-piperidine 2-Pyrrolidin-1-ylmethyl-piperidine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 100158-63-2 , 128454-03-5 , N/A , [100158-63-2] , [128454-03-5]

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) 1.43 5.94 -108.44 3 2 2 21 170.3 2 ↓
Hi High (pH 8-9.5) 1.43 3.85 -30.5 2 2 1 20 169.292 2 ↓
Mid Mid (pH 6-8) 1.43 4.81 -29.05 2 2 1 16 169.292 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 98% Fluorochem
PUBCHEM_PATENT_ID EP0232612A1; EP0260041A1; EP0333315A1; EP0333315B1; EP0356247A1; EP0356247B1; US4801585; US4826819; US4994450; US5021413; US5270327; US5512567; US5656758; US5756730; USRE33906 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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