1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]piperazine hydrochloride

• ChemBase ID: 243851
• Molecular Formular: C13H23ClN4O
• Molecular Mass: 286.80092
• Monoisotopic Mass: 286.15603906
• SMILES: n1c(noc1C1CCCCC1)CN1CCNCC1.Cl
• Canonical SMILES: C1CCC(CC1)c1onc(n1)CN1CCNCC1.Cl
• InChI: InChI=1S/C13H22N4O.ClH/c1-2-4-11(5-3-1)13-15-12(16-18-13)10-17-8-6-14-7-9-17;/h11,14H,1-10H2;1H
• InChIKey: MOLFOEFDJNPIBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22628391
• PubChem SID: 164299761
• PubChem CID: 71757359

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.407571
• LogD (pH = 7.4): -0.0079276
• Log P: 1.7993039
• Molar Refractivity: 71.1258 cm^3
• Polarizability: 27.213072 Å^3
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.617

Product Information

• Purity: 95%