4-(3-methoxyphenyl)piperidin-4-ol

• ChemBase ID: 35366
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: C1(c2cc(OC)ccc2)(CCNCC1)O
• Canonical SMILES: COc1cccc(c1)C1(O)CCNCC1
• InChI: InChI=1S/C12H17NO2/c1-15-11-4-2-3-10(9-11)12(14)5-7-13-8-6-12/h2-4,9,13-14H,5-8H2,1H3
• InChIKey: ACKHHBDZZHPXKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-methoxyphenyl)piperidin-4-ol
• IUPAC Traditional name: 4-(3-methoxyphenyl)piperidin-4-ol
• Synonyms: 4-(3-Methoxyphenyl)piperidin-4-ol

Database IDs

• CAS Number: 180161-15-3
• MDL Number: MFCD05251921
• PubChem SID: 160998673
• PubChem CID: 1091076

CALCULATED PROPERTIES

• Acid pKa: 13.951644
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.5370793
• LogD (pH = 7.4): -1.3492296
• Log P: 0.6157517
• Molar Refractivity: 59.3831 cm^3
• Polarizability: 23.463287 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false