4-(piperidin-4-yl)phenol hydrochloride

• ChemBase ID: 254827
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: N1CCC(c2ccc(cc2)O)CC1.Cl
• Canonical SMILES: Oc1ccc(cc1)C1CCNCC1.Cl
• InChI: InChI=1S/C11H15NO.ClH/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10;/h1-4,10,12-13H,5-8H2;1H
• InChIKey: DGUWALWRCOPUBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-4-yl)phenol hydrochloride
• IUPAC Traditional name: 4-(piperidin-4-yl)phenol hydrochloride
• Synonyms: 4-piperidin-4-ylphenol hydrochloride

Database IDs

• MDL Number: MFCD10565007
• PubChem SID: 164310737
• PubChem CID: 24250753

CALCULATED PROPERTIES

• Acid pKa: 10.494079
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4472084
• LogD (pH = 7.4): -0.79121345
• Log P: 1.2455438
• Molar Refractivity: 53.4599 cm^3
• Polarizability: 20.869549 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 252 - 254°C
• Hydrophobicity(logP): 1.676

Product Information

• Purity: 95%
• Salt Data: HCl