1-(cyclohexylmethyl)piperazine dihydrochloride

• ChemBase ID: 262083
• Molecular Formular: C11H24Cl2N2
• Molecular Mass: 255.22766
• Monoisotopic Mass: 254.13165414
• SMILES: N1(CC2CCCCC2)CCNCC1.Cl.Cl
• Canonical SMILES: C1CCC(CC1)CN1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H22N2.2ClH/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;;/h11-12H,1-10H2;2*1H
• InChIKey: VBHDFWIQTUHYEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexylmethyl)piperazine dihydrochloride
• IUPAC Traditional name: 1-(cyclohexylmethyl)piperazine dihydrochloride
• Synonyms: 1-(cyclohexylmethyl)piperazine dihydrochloride

Database IDs

• MDL Number: MFCD12913064
• PubChem SID: 164317993
• PubChem CID: 22120190

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6423533
• LogD (pH = 7.4): -0.7104081
• Log P: 1.7685244
• Molar Refractivity: 56.4885 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 294 - 296°C
• Hydrophobicity(logP): 2.412

Product Information

• Purity: 95%