2-cyclohexyl-N-(piperidin-4-yl)acetamide hydrochloride

• ChemBase ID: 272611
• Molecular Formular: C13H25ClN2O
• Molecular Mass: 260.8034
• Monoisotopic Mass: 260.16554111
• SMILES: C(=O)(NC1CCNCC1)CC1CCCCC1.Cl
• Canonical SMILES: O=C(NC1CCNCC1)CC1CCCCC1.Cl
• InChI: InChI=1S/C13H24N2O.ClH/c16-13(10-11-4-2-1-3-5-11)15-12-6-8-14-9-7-12;/h11-12,14H,1-10H2,(H,15,16);1H
• InChIKey: LKRMFVVUCLCGFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexyl-N-(piperidin-4-yl)acetamide hydrochloride
• IUPAC Traditional name: 2-cyclohexyl-N-(piperidin-4-yl)acetamide hydrochloride
• Synonyms: 2-cyclohexyl-N-(piperidin-4-yl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD18380730
• PubChem SID: 164328521
• PubChem CID: 50988754

CALCULATED PROPERTIES

• LogD (pH = 7.4): -1.3966482
• Log P: 1.1392497
• Molar Refractivity: 65.2963 cm^3
• Polarizability: 25.950315 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 16.178892
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0809648

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.184

Product Information

• Purity: 95%