4-(2-cyclohexylethoxy)piperidine hydrochloride

• ChemBase ID: 15382
• Molecular Formular: C13H26ClNO
• Molecular Mass: 247.80464
• Monoisotopic Mass: 247.17029214
• SMILES: N1CCC(CC1)OCCC1CCCCC1.Cl
• Canonical SMILES: C1CCC(CC1)CCOC1CCNCC1.Cl
• InChI: InChI=1S/C13H25NO.ClH/c1-2-4-12(5-3-1)8-11-15-13-6-9-14-10-7-13;/h12-14H,1-11H2;1H
• InChIKey: LHTINMPCWDCXDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09442328
• PubChem SID: 160978689
• PubChem CID: 17202829

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9707292
• LogD (pH = 7.4): -0.2823232
• Log P: 2.2492058
• Molar Refractivity: 63.5919 cm^3
• Polarizability: 25.443918 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false