[4-(phenylamino)piperidin-4-yl]methanol

• ChemBase ID: 276547
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: C1(Nc2ccccc2)(CCNCC1)CO
• Canonical SMILES: OCC1(CCNCC1)Nc1ccccc1
• InChI: InChI=1S/C12H18N2O/c15-10-12(6-8-13-9-7-12)14-11-4-2-1-3-5-11/h1-5,13-15H,6-10H2
• InChIKey: KKNRLRCRJRGFJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(phenylamino)piperidin-4-yl]methanol
• IUPAC Traditional name: [4-(phenylamino)piperidin-4-yl]methanol
• Synonyms: [4-(phenylamino)piperidin-4-yl]methanol

Database IDs

• MDL Number: MFCD09955354
• PubChem SID: 164332457
• PubChem CID: 9834279

CALCULATED PROPERTIES

• Acid pKa: 14.762024
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.868732
• LogD (pH = 7.4): -1.8872204
• Log P: 0.32344884
• Molar Refractivity: 62.5901 cm^3
• Polarizability: 23.940311 Å^3
• Polar Surface Area: 44.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.479

Product Information

• Purity: 95%