N,N-dimethyl-6-(piperidin-3-yl)pyridin-2-amine hydrochloride

• ChemBase ID: 62843
• Molecular Formular: C12H20ClN3
• Molecular Mass: 241.7603
• Monoisotopic Mass: 241.13457534
• SMILES: n1c(N(C)C)cccc1C1CNCCC1.Cl
• Canonical SMILES: CN(c1cccc(n1)C1CCCNC1)C.Cl
• InChI: InChI=1S/C12H19N3.ClH/c1-15(2)12-7-3-6-11(14-12)10-5-4-8-13-9-10;/h3,6-7,10,13H,4-5,8-9H2,1-2H3;1H
• InChIKey: IUMKTVOSSGMREZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21606111
• PubChem SID: 162028582
• PubChem CID: 71298846

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5206068
• LogD (pH = 7.4): -0.48993427
• Log P: 1.8489302
• Molar Refractivity: 63.5123 cm^3
• Polarizability: 24.18869 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