N,N-dimethyl-3-[6-(piperidin-4-yl)pyridin-2-yl]propanamide dihydrochloride

• ChemBase ID: 62791
• Molecular Formular: C15H25Cl2N3O
• Molecular Mass: 334.2845
• Monoisotopic Mass: 333.1374678
• SMILES: n1c(C2CCNCC2)cccc1CCC(=O)N(C)C.Cl.Cl
• Canonical SMILES: O=C(N(C)C)CCc1cccc(n1)C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C15H23N3O.2ClH/c1-18(2)15(19)7-6-13-4-3-5-14(17-13)12-8-10-16-11-9-12;;/h3-5,12,16H,6-11H2,1-2H3;2*1H
• InChIKey: IEILBYJMGNZXQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-[6-(piperidin-4-yl)pyridin-2-yl]propanamide dihydrochloride
• IUPAC Traditional name: N,N-dimethyl-3-[6-(piperidin-4-yl)pyridin-2-yl]propanamide dihydrochloride
• Synonyms: 3-(1',2',3',4',5',6'-Hexahydro-[2,4']bipyridinyl-6-yl)-N,N-dimethyl-propionamide dihydrochloride

Database IDs

• MDL Number: MFCD21606070
• PubChem SID: 162028530
• PubChem CID: 71298804

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6314406
• LogD (pH = 7.4): -1.901675
• Log P: 0.58716387
• Molar Refractivity: 76.0246 cm^3
• Polarizability: 29.771833 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false