(1-cyclopentylpiperidin-4-yl)methanamine dihydrochloride

• ChemBase ID: 24007
• Molecular Formular: C11H24Cl2N2
• Molecular Mass: 255.22766
• Monoisotopic Mass: 254.13165414
• SMILES: N1(CCC(CC1)CN)C1CCCC1.Cl.Cl
• Canonical SMILES: NCC1CCN(CC1)C1CCCC1.Cl.Cl
• InChI: InChI=1S/C11H22N2.2ClH/c12-9-10-5-7-13(8-6-10)11-3-1-2-4-11;;/h10-11H,1-9,12H2;2*1H
• InChIKey: JKDJKVNTUWIHAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-cyclopentylpiperidin-4-yl)methanamine dihydrochloride
• IUPAC Traditional name: (1-cyclopentylpiperidin-4-yl)methanamine dihydrochloride
• Synonyms: C-(1-Cyclopentyl-piperidin-4-yl)-methylamine dihydrochloride

Database IDs

• MDL Number: MFCD09997592
• PubChem SID: 160987314
• PubChem CID: 46735927

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.2563815
• LogD (pH = 7.4): -3.9301846
• Log P: 1.2166499
• Molar Refractivity: 56.6011 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false