[(1-methylpiperidin-4-yl)methyl](pyridin-4-ylmethyl)amine

• ChemBase ID: 15827
• Molecular Formular: C13H21N3
• Molecular Mass: 219.32594
• Monoisotopic Mass: 219.17354769
• SMILES: C1(CCN(CC1)C)CNCc1ccncc1
• Canonical SMILES: CN1CCC(CC1)CNCc1ccncc1
• InChI: InChI=1S/C13H21N3/c1-16-8-4-13(5-9-16)11-15-10-12-2-6-14-7-3-12/h2-3,6-7,13,15H,4-5,8-11H2,1H3
• InChIKey: SANIFFZOCWUKQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-methylpiperidin-4-yl)methyl](pyridin-4-ylmethyl)amine
• IUPAC Traditional name: [(1-methylpiperidin-4-yl)methyl](pyridin-4-ylmethyl)amine
• Synonyms: [(1-Methylpiperidin-4-yl)methyl]-(pyridin-4-ylmethyl)amine

Database IDs

• MDL Number: MFCD06801083
• PubChem SID: 160979134
• PubChem CID: 26188690

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.745844
• LogD (pH = 7.4): -3.4750915
• Log P: 0.8013291
• Molar Refractivity: 67.4182 cm^3
• Polarizability: 26.508976 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false