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

• ChemBase ID: 62168
• Molecular Formular: C16H27Cl2N3O
• Molecular Mass: 348.31108
• Monoisotopic Mass: 347.15311786
• SMILES: C(=O)(C1(CCCc2ncccc2)CCNCC1)N(C)C.Cl.Cl
• Canonical SMILES: CN(C(=O)C1(CCCc2ccccn2)CCNCC1)C.Cl.Cl
• InChI: InChI=1S/C16H25N3O.2ClH/c1-19(2)15(20)16(9-12-17-13-10-16)8-5-7-14-6-3-4-11-18-14;;/h3-4,6,11,17H,5,7-10,12-13H2,1-2H3;2*1H
• InChIKey: QXSOODHLXMOBRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21605811
• PubChem SID: 162027907
• PubChem CID: 71298562

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3571713
• LogD (pH = 7.4): -1.4257727
• Log P: 1.2004095
• Molar Refractivity: 80.5092 cm^3
• Polarizability: 31.61799 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false