4-[(2-methylpiperidin-1-yl)methyl]pyridine

• ChemBase ID: 256704
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N1(Cc2ccncc2)C(C)CCCC1
• Canonical SMILES: CC1CCCCN1Cc1ccncc1
• InChI: InChI=1S/C12H18N2/c1-11-4-2-3-9-14(11)10-12-5-7-13-8-6-12/h5-8,11H,2-4,9-10H2,1H3
• InChIKey: DPAXLMQSSWVKQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-methylpiperidin-1-yl)methyl]pyridine
• IUPAC Traditional name: 4-[(2-methylpiperidin-1-yl)methyl]pyridine
• Synonyms: 4-[(2-methylpiperidin-1-yl)methyl]pyridine

Database IDs

• MDL Number: MFCD11099444
• PubChem SID: 164312614
• PubChem CID: 43810656

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2850579
• LogD (pH = 7.4): 0.2610941
• Log P: 1.9639113
• Molar Refractivity: 59.0046 cm^3
• Polarizability: 23.14217 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.191

Product Information

• Purity: 95%