3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperidine hydrochloride

• ChemBase ID: 242815
• Molecular Formular: C15H26ClN3O
• Molecular Mass: 299.83944
• Monoisotopic Mass: 299.17644015
• SMILES: n1c(noc1CC1CNCCC1)C1CCCCCC1.Cl
• Canonical SMILES: C1CCCC(CC1)c1noc(n1)CC1CCCNC1.Cl
• InChI: InChI=1S/C15H25N3O.ClH/c1-2-4-8-13(7-3-1)15-17-14(19-18-15)10-12-6-5-9-16-11-12;/h12-13,16H,1-11H2;1H
• InChIKey: DJHJJXJMCFWOHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperidine hydrochloride
• IUPAC Traditional name: 3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperidine hydrochloride
• Synonyms: 3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperidine hydrochloride

Database IDs

• MDL Number: MFCD22578521
• PubChem SID: 164298725
• PubChem CID: 71757088

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.14098954
• LogD (pH = 7.4): 0.7332809
• Log P: 3.1905015
• Molar Refractivity: 76.4721 cm^3
• Polarizability: 29.286442 Å^3
• Polar Surface Area: 50.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.943

Product Information

• Purity: 95%