1-(4-methylpiperazine-1-carbonyl)cyclopentan-1-amine dihydrochloride

• ChemBase ID: 269261
• Molecular Formular: C11H23Cl2N3O
• Molecular Mass: 284.22582
• Monoisotopic Mass: 283.12181773
• SMILES: C(=O)(N1CCN(CC1)C)C1(N)CCCC1.Cl.Cl
• Canonical SMILES: CN1CCN(CC1)C(=O)C1(N)CCCC1.Cl.Cl
• InChI: InChI=1S/C11H21N3O.2ClH/c1-13-6-8-14(9-7-13)10(15)11(12)4-2-3-5-11;;/h2-9,12H2,1H3;2*1H
• InChIKey: MYVWJCDGRUONGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methylpiperazine-1-carbonyl)cyclopentan-1-amine dihydrochloride
• IUPAC Traditional name: 1-(4-methylpiperazine-1-carbonyl)cyclopentan-1-amine dihydrochloride
• Synonyms: 1-[(4-methylpiperazin-1-yl)carbonyl]cyclopentan-1-amine dihydrochloride

Database IDs

• MDL Number: MFCD16817536
• PubChem SID: 164325171
• PubChem CID: 18698213

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.216317
• LogD (pH = 7.4): -1.5279338
• Log P: -0.077097446
• Molar Refractivity: 60.1221 cm^3
• Polarizability: 23.793373 Å^3
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.878

Product Information

• Purity: 95%