N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide dihydrochloride

• ChemBase ID: 259510
• Molecular Formular: C13H27Cl2N3O
• Molecular Mass: 312.27898
• Monoisotopic Mass: 311.15311786
• SMILES: C(=O)(N(C1CCN(CC1)C)C)C1CCNCC1.Cl.Cl
• Canonical SMILES: CN1CCC(CC1)N(C(=O)C1CCNCC1)C.Cl.Cl
• InChI: InChI=1S/C13H25N3O.2ClH/c1-15-9-5-12(6-10-15)16(2)13(17)11-3-7-14-8-4-11;;/h11-12,14H,3-10H2,1-2H3;2*1H
• InChIKey: FQBZRKDWWFDZHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide dihydrochloride
• IUPAC Traditional name: N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide dihydrochloride
• Synonyms: N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide dihydrochloride

Database IDs

• MDL Number: MFCD11858077
• PubChem SID: 164315420
• PubChem CID: 42943663

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.599458
• LogD (pH = 7.4): -4.2744603
• Log P: -0.45255217
• Molar Refractivity: 70.142 cm^3
• Polarizability: 27.476744 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.132

Product Information

• Purity: 95%