[(1-cyclopentylpiperidin-4-yl)methyl](pyridin-3-ylmethyl)amine trihydrochloride

• ChemBase ID: 15831
• Molecular Formular: C17H30Cl3N3
• Molecular Mass: 382.7992
• Monoisotopic Mass: 381.15053102
• SMILES: C1(CCN(CC1)C1CCCC1)CNCc1cnccc1.Cl.Cl.Cl
• Canonical SMILES: C1CCC(C1)N1CCC(CC1)CNCc1cccnc1.Cl.Cl.Cl
• InChI: InChI=1S/C17H27N3.3ClH/c1-2-6-17(5-1)20-10-7-15(8-11-20)12-19-14-16-4-3-9-18-13-16;;;/h3-4,9,13,15,17,19H,1-2,5-8,10-12,14H2;3*1H
• InChIKey: RIRGUOHDCANNNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-cyclopentylpiperidin-4-yl)methyl](pyridin-3-ylmethyl)amine trihydrochloride
• IUPAC Traditional name: [(1-cyclopentylpiperidin-4-yl)methyl](pyridin-3-ylmethyl)amine trihydrochloride
• Synonyms: [(1-Cyclopentylpiperidin-4-yl)methyl]-(pyridin-3-ylmethyl)amine trihydrochloride

Database IDs

• MDL Number: MFCD06800493
• PubChem SID: 160979138
• PubChem CID: 45075076

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.4234
• LogD (pH = 7.4): -2.4895332
• Log P: 2.156031
• Molar Refractivity: 83.8314 cm^3
• Polarizability: 33.15504 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false