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

• ChemBase ID: 46311
• Molecular Formular: C15H30ClNO
• Molecular Mass: 275.8578
• Monoisotopic Mass: 275.20159227
• SMILES: N1CCC(CCOCCC2CCCCC2)CC1.Cl
• Canonical SMILES: C1CCC(CC1)CCOCCC1CCNCC1.Cl
• InChI: InChI=1S/C15H29NO.ClH/c1-2-4-14(5-3-1)8-12-17-13-9-15-6-10-16-11-7-15;/h14-16H,1-13H2;1H
• InChIKey: ZBILJPLMIJUQOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13560198
• PubChem SID: 162051074
• PubChem CID: 56829858

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.15516424
• LogD (pH = 7.4): 0.3012256
• Log P: 3.0764215
• Molar Refractivity: 73.0879 cm^3
• Polarizability: 29.13433 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false