N-methyl-1-(pyridin-4-ylmethyl)piperidin-4-amine

• ChemBase ID: 265706
• Molecular Formular: C12H19N3
• Molecular Mass: 205.29936
• Monoisotopic Mass: 205.15789762
• SMILES: N1(Cc2ccncc2)CCC(CC1)NC
• Canonical SMILES: CNC1CCN(CC1)Cc1ccncc1
• InChI: InChI=1S/C12H19N3/c1-13-12-4-8-15(9-5-12)10-11-2-6-14-7-3-11/h2-3,6-7,12-13H,4-5,8-10H2,1H3
• InChIKey: VMZLTORMMGHBTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-(pyridin-4-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: N-methyl-1-(pyridin-4-ylmethyl)piperidin-4-amine
• Synonyms: N-methyl-1-(pyridin-4-ylmethyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD12154912
• PubChem SID: 164321616
• PubChem CID: 47002489

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.3410406
• LogD (pH = 7.4): -2.7005358
• Log P: 0.34072834
• Molar Refractivity: 62.6002 cm^3
• Polarizability: 24.662844 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.169

Product Information

• Purity: 95%