1-cyclopentylpiperidin-4-amine dihydrochloride

• ChemBase ID: 258474
• Molecular Formular: C10H22Cl2N2
• Molecular Mass: 241.20108
• Monoisotopic Mass: 240.11600407
• SMILES: N1(CCC(CC1)N)C1CCCC1.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)C1CCCC1.Cl.Cl
• InChI: InChI=1S/C10H20N2.2ClH/c11-9-5-7-12(8-6-9)10-3-1-2-4-10;;/h9-10H,1-8,11H2;2*1H
• InChIKey: DJTMXMJYBXYQNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentylpiperidin-4-amine dihydrochloride
• IUPAC Traditional name: 1-cyclopentylpiperidin-4-amine dihydrochloride
• Synonyms: 1-cyclopentylpiperidin-4-amine dihydrochloride

Database IDs

• CAS Number: 952201-42-2
• MDL Number: MFCD09064935
• PubChem SID: 164314384
• PubChem CID: 43810768

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.0223126
• LogD (pH = 7.4): -3.036741
• Log P: 0.75604916
• Molar Refractivity: 51.7831 cm^3
• Polarizability: 20.7646 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 321 - 323°C
• Hydrophobicity(logP): 0.606

Product Information

• Purity: 95%; 95+%; 98%