UCSF

ZINC32445549

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2009 11 Yes

Popular Name: 3-(pyrrolidin-1-yl)piperidine 3-(pyrrolidin-1-yl)piperidine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1185300-96-2 , 144243-28-7 , 917560-78-2 , [1185300-96-2]

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) 0.57 4.62 -101.65 3 2 2 21 156.273 1 ↓
Hi High (pH 8-9.5) 0.57 3.28 -29.87 2 2 1 16 155.265 1 ↓
Hi High (pH 8-9.5) 0.57 0.86 -1.03 1 2 0 15 154.257 1 ↓
Hi High (pH 8-9.5) 0.57 2.19 -36.52 2 2 1 20 155.265 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0277791A2; EP0277791B1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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