N,N-dimethyl-4-[3-(pyrazin-2-yl)propyl]piperidine-4-carboxamide dihydrochloride

• ChemBase ID: 62167
• Molecular Formular: C15H26Cl2N4O
• Molecular Mass: 349.29914
• Monoisotopic Mass: 348.14836683
• SMILES: C(=O)(C1(CCCc2nccnc2)CCNCC1)N(C)C.Cl.Cl
• Canonical SMILES: CN(C(=O)C1(CCCc2cnccn2)CCNCC1)C.Cl.Cl
• InChI: InChI=1S/C15H24N4O.2ClH/c1-19(2)14(20)15(6-8-16-9-7-15)5-3-4-13-12-17-10-11-18-13;;/h10-12,16H,3-9H2,1-2H3;2*1H
• InChIKey: ZMWWHGYAPSHQCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-[3-(pyrazin-2-yl)propyl]piperidine-4-carboxamide dihydrochloride
• IUPAC Traditional name: N,N-dimethyl-4-[3-(pyrazin-2-yl)propyl]piperidine-4-carboxamide dihydrochloride
• Synonyms: 4-(3-Pyrazin-2-yl-propyl)-piperidine-4-carboxylic acid dimethylamide dihydrochloride

Database IDs

• MDL Number: MFCD21605810
• PubChem SID: 162027906
• PubChem CID: 71298561

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.2421727
• LogD (pH = 7.4): -2.6369262
• Log P: -0.017262932
• Molar Refractivity: 78.3523 cm^3
• Polarizability: 30.721289 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false