3-(2-cyclohexylethoxy)piperidine hydrochloride

• ChemBase ID: 20823
• Molecular Formular: C13H26ClNO
• Molecular Mass: 247.80464
• Monoisotopic Mass: 247.17029214
• SMILES: N1CC(OCCC2CCCCC2)CCC1.Cl
• Canonical SMILES: C1CCC(CC1)CCOC1CCCNC1.Cl
• InChI: InChI=1S/C13H25NO.ClH/c1-2-5-12(6-3-1)8-10-15-13-7-4-9-14-11-13;/h12-14H,1-11H2;1H
• InChIKey: AAKMOXQYGQLSID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-cyclohexylethoxy)piperidine hydrochloride
• IUPAC Traditional name: 3-(2-cyclohexylethoxy)piperidine hydrochloride
• Synonyms: 3-(2-Cyclohexylethoxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD12405037
• PubChem SID: 160984130
• PubChem CID: 46735645

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.48383495
• LogD (pH = 7.4): 0.50440544
• Log P: 2.7066088
• Molar Refractivity: 63.3711 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