4-[(4-methylcyclohexyl)oxy]piperidine hydrochloride

• ChemBase ID: 272120
• Molecular Formular: C12H24ClNO
• Molecular Mass: 233.77806
• Monoisotopic Mass: 233.15464207
• SMILES: N1CCC(OC2CCC(CC2)C)CC1.Cl
• Canonical SMILES: CC1CCC(CC1)OC1CCNCC1.Cl
• InChI: InChI=1S/C12H23NO.ClH/c1-10-2-4-11(5-3-10)14-12-6-8-13-9-7-12;/h10-13H,2-9H2,1H3;1H
• InChIKey: LWPIOINTPYAMDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(4-methylcyclohexyl)oxy]piperidine hydrochloride
• IUPAC Traditional name: 4-[(4-methylcyclohexyl)oxy]piperidine hydrochloride
• Synonyms: 4-[(4-methylcyclohexyl)oxy]piperidine hydrochloride

Database IDs

• MDL Number: MFCD18089503
• PubChem SID: 164328030
• PubChem CID: 50988193

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3653367
• LogD (pH = 7.4): -0.676915
• Log P: 1.8545972
• Molar Refractivity: 58.7317 cm^3
• Polarizability: 23.599113 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.974

Product Information

• Purity: 95%