1-methyl-4-(piperidine-3-carbonyl)piperazine dihydrochloride

• ChemBase ID: 101745
• Molecular Formular: C11H23Cl2N3O
• Molecular Mass: 284.22582
• Monoisotopic Mass: 283.12181773
• SMILES: C(=O)(N1CCN(CC1)C)C1CNCCC1.Cl.Cl
• Canonical SMILES: CN1CCN(CC1)C(=O)C1CCCNC1.Cl.Cl
• InChI: InChI=1S/C11H21N3O.2ClH/c1-13-5-7-14(8-6-13)11(15)10-3-2-4-12-9-10;;/h10,12H,2-9H2,1H3;2*1H
• InChIKey: RLSOTIZPTQYRRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-(piperidine-3-carbonyl)piperazine dihydrochloride
• IUPAC Traditional name: 1-methyl-4-(piperidine-3-carbonyl)piperazine dihydrochloride
• Synonyms: (4-methylpiperazino)(3-piperidinyl)methanone dihydrochloride

Database IDs

• CAS Number: 690632-07-6
• MDL Number: MFCD05865123
• PubChem SID: 162088603
• PubChem CID: 2794686

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.107607
• LogD (pH = 7.4): -2.771403
• Log P: -0.47633126
• Molar Refractivity: 60.587 cm^3
• Polarizability: 23.793373 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%