2-(1-cyclopentylpiperidin-4-yl)ethan-1-amine

• ChemBase ID: 71814
• Molecular Formular: C12H24N2
• Molecular Mass: 196.33236
• Monoisotopic Mass: 196.19394878
• SMILES: N1(CCC(CC1)CCN)C1CCCC1
• Canonical SMILES: NCCC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C12H24N2/c13-8-5-11-6-9-14(10-7-11)12-3-1-2-4-12/h11-12H,1-10,13H2
• InChIKey: SQPZDQJSVACOTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-cyclopentylpiperidin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(1-cyclopentylpiperidin-4-yl)ethanamine
• Synonyms: [2-(1-Cyclopentylpiperidin-4-yl)ethyl]amine; 2-(1-cyclopentylpiperidin-4-yl)ethanamine

Database IDs

• CAS Number: 132740-61-5
• MDL Number: MFCD08059857
• PubChem SID: 162037182
• PubChem CID: 42546172

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.8928843
• LogD (pH = 7.4): -3.5496612
• Log P: 1.5832648
• Molar Refractivity: 61.2791 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT