N,N-dimethyl-6-(piperidin-3-yl)pyridin-3-amine dihydrochloride

• ChemBase ID: 62808
• Molecular Formular: C12H21Cl2N3
• Molecular Mass: 278.22124
• Monoisotopic Mass: 277.11125305
• SMILES: n1c(C2CNCCC2)ccc(c1)N(C)C.Cl.Cl
• Canonical SMILES: CN(c1ccc(nc1)C1CCCNC1)C.Cl.Cl
• InChI: InChI=1S/C12H19N3.2ClH/c1-15(2)11-5-6-12(14-9-11)10-4-3-7-13-8-10;;/h5-6,9-10,13H,3-4,7-8H2,1-2H3;2*1H
• InChIKey: LFDIPMVQQZNBFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21606084
• PubChem SID: 162028547
• PubChem CID: 71298818

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9633925
• LogD (pH = 7.4): -1.0884503
• Log P: 1.2544727
• Molar Refractivity: 63.1988 cm^3
• Polarizability: 24.188145 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false