1-(cyclopentylmethyl)piperidin-4-amine dihydrochloride

• ChemBase ID: 245052
• Molecular Formular: C11H24Cl2N2
• Molecular Mass: 255.22766
• Monoisotopic Mass: 254.13165414
• SMILES: N1(CC2CCCC2)CCC(CC1)N.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)CC1CCCC1.Cl.Cl
• InChI: InChI=1S/C11H22N2.2ClH/c12-11-5-7-13(8-6-11)9-10-3-1-2-4-10;;/h10-11H,1-9,12H2;2*1H
• InChIKey: KEXLXXYHENQMPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopentylmethyl)piperidin-4-amine dihydrochloride
• IUPAC Traditional name: 1-(cyclopentylmethyl)piperidin-4-amine dihydrochloride
• Synonyms: 1-(cyclopentylmethyl)piperidin-4-amine dihydrochloride

Database IDs

• MDL Number: MFCD09759203
• PubChem SID: 164300962
• PubChem CID: 45156763

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.750194
• LogD (pH = 7.4): -2.7675915
• Log P: 1.0710618
• Molar Refractivity: 56.5139 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 221 - 223°C
• Hydrophobicity(logP): 1.315

Product Information

• Purity: 95%