1-cyclopentylpiperidin-4-one

• ChemBase ID: 261751
• Molecular Formular: C10H17NO
• Molecular Mass: 167.24808
• Monoisotopic Mass: 167.13101417
• SMILES: N1(CCC(=O)CC1)C1CCCC1
• Canonical SMILES: O=C1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C10H17NO/c12-10-5-7-11(8-6-10)9-3-1-2-4-9/h9H,1-8H2
• InChIKey: OJEDWBCGPOCKJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentylpiperidin-4-one
• IUPAC Traditional name: 1-cyclopentylpiperidin-4-one
• Synonyms: 1-cyclopentylpiperidin-4-one; 1-cyclopentyl-4-piperidinone

Database IDs

• CAS Number: 343787-68-8
• MDL Number: MFCD07374376
• PubChem SID: 164317661
• PubChem CID: 12653611

CALCULATED PROPERTIES

• Acid pKa: 17.790123
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.85923576
• LogD (pH = 7.4): 0.893666
• Log P: 1.5278347
• Molar Refractivity: 48.8767 cm^3
• Polarizability: 19.28913 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.367

Product Information

• Purity: 95%; 98%