4-(benzyloxy)piperidine hydrochloride

• ChemBase ID: 16939
• Molecular Formular: C12H18ClNO
• Molecular Mass: 227.73042
• Monoisotopic Mass: 227.10769188
• SMILES: c1(COC2CCNCC2)ccccc1.Cl
• Canonical SMILES: N1CCC(CC1)OCc1ccccc1.Cl
• InChI: InChI=1S/C12H17NO.ClH/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12;/h1-5,12-13H,6-10H2;1H
• InChIKey: TYZNPXDFDHBMNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)piperidine hydrochloride
• IUPAC Traditional name: 4-(benzyloxy)piperidine hydrochloride
• Synonyms: 4-(benzyloxy)piperidine hydrochloride; 4-Benzyloxy-piperidine hydrochloride

Database IDs

• CAS Number: 81151-68-0
• MDL Number: MFCD07368306
• PubChem SID: 160980246
• PubChem CID: 12807000

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7271531
• LogD (pH = 7.4): -1.03873
• Log P: 1.4927807
• Molar Refractivity: 57.7815 cm^3
• Polarizability: 22.882162 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): 1.532

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%