1-(piperazin-1-yl)cyclohexane-1-carboxamide dihydrochloride

• ChemBase ID: 273405
• Molecular Formular: C11H23Cl2N3O
• Molecular Mass: 284.22582
• Monoisotopic Mass: 283.12181773
• SMILES: C1(N2CCNCC2)(C(=O)N)CCCCC1.Cl.Cl
• Canonical SMILES: NC(=O)C1(CCCCC1)N1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H21N3O.2ClH/c12-10(15)11(4-2-1-3-5-11)14-8-6-13-7-9-14;;/h13H,1-9H2,(H2,12,15);2*1H
• InChIKey: LATISIIDFWGTCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperazin-1-yl)cyclohexane-1-carboxamide dihydrochloride
• IUPAC Traditional name: 1-(piperazin-1-yl)cyclohexane-1-carboxamide dihydrochloride
• Synonyms: 1-(piperazin-1-yl)cyclohexane-1-carboxamide dihydrochloride

Database IDs

• MDL Number: MFCD18785471
• PubChem SID: 164329315
• PubChem CID: 22314769

CALCULATED PROPERTIES

• Acid pKa: 16.403051
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.7949636
• LogD (pH = 7.4): -1.2849414
• Log P: 0.3526995
• Molar Refractivity: 59.7043 cm^3
• Polarizability: 23.793373 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.607

Product Information

• Purity: 95%