[1-(4-aminobenzoyl)piperidin-4-yl]methanol

• ChemBase ID: 266591
• Molecular Formular: C13H18N2O2
• Molecular Mass: 234.29422
• Monoisotopic Mass: 234.13682783
• SMILES: C(=O)(N1CCC(CC1)CO)c1ccc(N)cc1
• Canonical SMILES: OCC1CCN(CC1)C(=O)c1ccc(cc1)N
• InChI: InChI=1S/C13H18N2O2/c14-12-3-1-11(2-4-12)13(17)15-7-5-10(9-16)6-8-15/h1-4,10,16H,5-9,14H2
• InChIKey: SNYDJFPGPSHXCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-aminobenzoyl)piperidin-4-yl]methanol
• IUPAC Traditional name: [1-(4-aminobenzoyl)piperidin-4-yl]methanol
• Synonyms: {1-[(4-aminophenyl)carbonyl]piperidin-4-yl}methanol

Database IDs

• MDL Number: MFCD11132986
• PubChem SID: 164322501
• PubChem CID: 43133115

CALCULATED PROPERTIES

• Acid pKa: 15.467147
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.21778458
• LogD (pH = 7.4): 0.22093235
• Log P: 0.22097263
• Molar Refractivity: 68.1725 cm^3
• Polarizability: 25.243364 Å^3
• Polar Surface Area: 66.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 138 - 140°C
• Hydrophobicity(logP): -0.385

Product Information

• Purity: 95%