2-(4-methylpiperidin-1-yl)aniline

• ChemBase ID: 30577
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N1(c2c(N)cccc2)CCC(CC1)C
• Canonical SMILES: CC1CCN(CC1)c1ccccc1N
• InChI: InChI=1S/C12H18N2/c1-10-6-8-14(9-7-10)12-5-3-2-4-11(12)13/h2-5,10H,6-9,13H2,1H3
• InChIKey: MOJQNIVEQAVVGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methylpiperidin-1-yl)aniline
• IUPAC Traditional name: 2-(4-methylpiperidin-1-yl)aniline
• Synonyms: 2-(4-Methyl-piperidin-1-yl)-phenylamine; 2-(4-methylpiperidin-1-yl)aniline

Database IDs

• MDL Number: MFCD04166381
• PubChem SID: 160993884
• PubChem CID: 663698

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2163184
• LogD (pH = 7.4): 2.3870718
• Log P: 2.389749
• Molar Refractivity: 61.8776 cm^3
• Polarizability: 22.951075 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false