N-(piperidin-4-yl)hexanamide hydrochloride

• ChemBase ID: 266482
• Molecular Formular: C11H23ClN2O
• Molecular Mass: 234.76612
• Monoisotopic Mass: 234.14989105
• SMILES: C(=O)(NC1CCNCC1)CCCCC.Cl
• Canonical SMILES: CCCCCC(=O)NC1CCNCC1.Cl
• InChI: InChI=1S/C11H22N2O.ClH/c1-2-3-4-5-11(14)13-10-6-8-12-9-7-10;/h10,12H,2-9H2,1H3,(H,13,14);1H
• InChIKey: BSMNNCKBUMROOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-4-yl)hexanamide hydrochloride
• IUPAC Traditional name: N-(piperidin-4-yl)hexanamide hydrochloride
• Synonyms: N-(piperidin-4-yl)hexanamide hydrochloride

Database IDs

• MDL Number: MFCD15209679
• PubChem SID: 164322392
• PubChem CID: 47002713

CALCULATED PROPERTIES

• Acid pKa: 16.278309
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.3488193
• LogD (pH = 7.4): -1.66451
• Log P: 0.8713878
• Molar Refractivity: 57.9489 cm^3
• Polarizability: 22.99533 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.65

Product Information

• Purity: 95%