methyl(piperidin-3-ylmethyl)(pyridin-3-ylmethyl)amine

• ChemBase ID: 269351
• Molecular Formular: C13H21N3
• Molecular Mass: 219.32594
• Monoisotopic Mass: 219.17354769
• SMILES: N1CC(CN(Cc2cnccc2)C)CCC1
• Canonical SMILES: CN(Cc1cccnc1)CC1CCCNC1
• InChI: InChI=1S/C13H21N3/c1-16(10-12-4-2-6-14-8-12)11-13-5-3-7-15-9-13/h2,4,6,8,13,15H,3,5,7,9-11H2,1H3
• InChIKey: UKDGSWVIHDBVMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(piperidin-3-ylmethyl)(pyridin-3-ylmethyl)amine
• IUPAC Traditional name: methyl(piperidin-3-ylmethyl)(pyridin-3-ylmethyl)amine
• Synonyms: methyl(piperidin-3-ylmethyl)(pyridin-3-ylmethyl)amine

Database IDs

• MDL Number: MFCD09041634
• PubChem SID: 164325261
• PubChem CID: 16768130

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.3654156
• LogD (pH = 7.4): -2.331029
• Log P: 0.8428858
• Molar Refractivity: 67.3194 cm^3
• Polarizability: 26.509207 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.71

Product Information

• Purity: 95%