3-phenoxypiperidine hydrochloride

• ChemBase ID: 20844
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: N1CC(Oc2ccccc2)CCC1.Cl
• Canonical SMILES: C1CCC(CN1)Oc1ccccc1.Cl
• InChI: InChI=1S/C11H15NO.ClH/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11;/h1-3,5-6,11-12H,4,7-9H2;1H
• InChIKey: NOIVAVLUDPXIBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenoxypiperidine hydrochloride
• IUPAC Traditional name: 3-phenoxypiperidine hydrochloride
• Synonyms: 3-Phenoxypiperidine hydrochloride

Database IDs

• MDL Number: MFCD05861372
• PubChem SID: 160984151
• PubChem CID: 17749765

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2514752
• LogD (pH = 7.4): -0.132341
• Log P: 1.9167356
• Molar Refractivity: 52.4568 cm^3
• Polarizability: 21.025192 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false