3-(benzyloxy)piperidine hydrochloride

• ChemBase ID: 20833
• Molecular Formular: C12H18ClNO
• Molecular Mass: 227.73042
• Monoisotopic Mass: 227.10769188
• SMILES: N1CC(OCc2ccccc2)CCC1.Cl
• Canonical SMILES: C1CCC(CN1)OCc1ccccc1.Cl
• InChI: InChI=1S/C12H17NO.ClH/c1-2-5-11(6-3-1)10-14-12-7-4-8-13-9-12;/h1-3,5-6,12-13H,4,7-10H2;1H
• InChIKey: QFNCCBWLSWYFKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(benzyloxy)piperidine hydrochloride
• IUPAC Traditional name: 3-(benzyloxy)piperidine hydrochloride
• Synonyms: 3-(Benzyloxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD07781093
• PubChem SID: 160984140
• PubChem CID: 45075371

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2401818
• LogD (pH = 7.4): -0.25138912
• Log P: 1.9501836
• Molar Refractivity: 57.5607 cm^3
• Polarizability: 22.882162 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false