{2-[(2-methylpiperidin-1-yl)methyl]phenyl}methanamine

• ChemBase ID: 258296
• Molecular Formular: C14H22N2
• Molecular Mass: 218.33788
• Monoisotopic Mass: 218.17829871
• SMILES: N1(Cc2c(CN)cccc2)C(C)CCCC1
• Canonical SMILES: NCc1ccccc1CN1CCCCC1C
• InChI: InChI=1S/C14H22N2/c1-12-6-4-5-9-16(12)11-14-8-3-2-7-13(14)10-15/h2-3,7-8,12H,4-6,9-11,15H2,1H3
• InChIKey: RNFKVHRDFQMOCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(2-methylpiperidin-1-yl)methyl]phenyl}methanamine
• IUPAC Traditional name: {2-[(2-methylpiperidin-1-yl)methyl]phenyl}methanamine
• Synonyms: 1-{2-[(2-methylpiperidin-1-yl)methyl]phenyl}methanamine

Database IDs

• MDL Number: MFCD08442834
• PubChem SID: 164314206
• PubChem CID: 15121447

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.8695
• LogD (pH = 7.4): -1.4148034
• Log P: 2.307352
• Molar Refractivity: 69.6349 cm^3
• Polarizability: 27.442196 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.59

Product Information

• Purity: 95%