4-[4-(benzyloxy)phenoxy]piperidine hydrochloride

• ChemBase ID: 20971
• Molecular Formular: C18H22ClNO2
• Molecular Mass: 319.82578
• Monoisotopic Mass: 319.13390663
• SMILES: c1ccc(cc1)COc1ccc(cc1)OC1CCNCC1.Cl
• Canonical SMILES: N1CCC(CC1)Oc1ccc(cc1)OCc1ccccc1.Cl
• InChI: InChI=1S/C18H21NO2.ClH/c1-2-4-15(5-3-1)14-20-16-6-8-17(9-7-16)21-18-10-12-19-13-11-18;/h1-9,18-19H,10-14H2;1H
• InChIKey: MADDTOBRXDDMAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(benzyloxy)phenoxy]piperidine hydrochloride
• IUPAC Traditional name: 4-[4-(benzyloxy)phenoxy]piperidine hydrochloride
• Synonyms: 4-[4-(Benzyloxy)phenoxy]piperidine hydrochloride

Database IDs

• MDL Number: MFCD11845777
• PubChem SID: 160984278
• PubChem CID: 46735690

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.18126412
• LogD (pH = 7.4): 0.66305447
• Log P: 3.0261345
• Molar Refractivity: 83.7534 cm^3
• Polarizability: 33.138012 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false