4-(benzyloxy)piperidine hydrate hydrochloride

• ChemBase ID: 310224
• Molecular Formular: C12H20ClNO2
• Molecular Mass: 245.7457
• Monoisotopic Mass: 245.11825657
• SMILES: N1CCC(OCc2ccccc2)CC1.Cl.O
• Canonical SMILES: N1CCC(CC1)OCc1ccccc1.O.Cl
• InChI: InChI=1S/C12H17NO.ClH.H2O/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12;;/h1-5,12-13H,6-10H2;1H;1H2
• InChIKey: SRWIPKLMGJXMIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

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