1-cyclopentanecarbonylpiperidin-4-amine

• ChemBase ID: 34254
• Molecular Formular: C11H20N2O
• Molecular Mass: 196.2893
• Monoisotopic Mass: 196.15756327
• SMILES: N1(C(=O)C2CCCC2)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)C(=O)C1CCCC1
• InChI: InChI=1S/C11H20N2O/c12-10-5-7-13(8-6-10)11(14)9-3-1-2-4-9/h9-10H,1-8,12H2
• InChIKey: VWTXAMQWODDUOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentanecarbonylpiperidin-4-amine
• IUPAC Traditional name: 1-cyclopentanecarbonylpiperidin-4-amine
• Synonyms: 1-(cyclopentylcarbonyl)-4-piperidinamine; 1-(Cyclopentylcarbonyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD09044957
• PubChem SID: 160997561
• PubChem CID: 16772636

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.720652
• LogD (pH = 7.4): -2.151718
• Log P: 0.29717514
• Molar Refractivity: 56.2423 cm^3
• Polarizability: 22.265976 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false