(1-cyclopentylpiperidin-4-yl)methanamine

• ChemBase ID: 16949
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N1(C2CCCC2)CCC(CC1)CN
• Canonical SMILES: NCC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C11H22N2/c12-9-10-5-7-13(8-6-10)11-3-1-2-4-11/h10-11H,1-9,12H2
• InChIKey: DBQGQSUQRLEZFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 132864-60-9
• MDL Number: MFCD05864491
• PubChem SID: 160980256
• PubChem CID: 3157468

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