4-[(2-cyclohexylethoxy)methyl]piperidine hydrochloride

• ChemBase ID: 15381
• Molecular Formular: C14H28ClNO
• Molecular Mass: 261.83122
• Monoisotopic Mass: 261.1859422
• SMILES: N1CCC(CC1)COCCC1CCCCC1.Cl
• Canonical SMILES: C1CCC(CC1)CCOCC1CCNCC1.Cl
• InChI: InChI=1S/C14H27NO.ClH/c1-2-4-13(5-3-1)8-11-16-12-14-6-9-15-10-7-14;/h13-15H,1-12H2;1H
• InChIKey: KKFZNITZPBIPCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-cyclohexylethoxy)methyl]piperidine hydrochloride
• IUPAC Traditional name: 4-[(2-cyclohexylethoxy)methyl]piperidine hydrochloride
• Synonyms: 4-[(2-Cyclohexylethoxy)methyl]piperidine hydrochloride

Database IDs

• MDL Number: MFCD09464871
• PubChem SID: 160978688
• PubChem CID: 17230617

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5216149
• LogD (pH = 7.4): -0.060860377
• Log P: 2.7098067
• Molar Refractivity: 68.4099 cm^3
• Polarizability: 27.28901 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false