5-[4-(dimethylamino)piperidin-1-yl]pyridin-2-amine

• ChemBase ID: 239081
• Molecular Formular: C12H20N4
• Molecular Mass: 220.314
• Monoisotopic Mass: 220.16879666
• SMILES: N1(c2cnc(N)cc2)CCC(CC1)N(C)C
• Canonical SMILES: CN(C1CCN(CC1)c1ccc(nc1)N)C
• InChI: InChI=1S/C12H20N4/c1-15(2)10-5-7-16(8-6-10)11-3-4-12(13)14-9-11/h3-4,9-10H,5-8H2,1-2H3,(H2,13,14)
• InChIKey: YWYMTHVANRCKHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-(dimethylamino)piperidin-1-yl]pyridin-2-amine
• IUPAC Traditional name: 5-[4-(dimethylamino)piperidin-1-yl]pyridin-2-amine
• Synonyms: 5-[4-(dimethylamino)piperidin-1-yl]pyridin-2-amine

Database IDs

• MDL Number: MFCD12143421
• PubChem SID: 164294991
• PubChem CID: 43585741

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.9231415
• LogD (pH = 7.4): -1.803968
• Log P: 0.65595496
• Molar Refractivity: 68.7947 cm^3
• Polarizability: 25.398844 Å^3
• Polar Surface Area: 45.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.4

Product Information

• Purity: 95%