2-(4-methylpiperidin-1-yl)pyridin-3-amine

• ChemBase ID: 48515
• Molecular Formular: C11H17N3
• Molecular Mass: 191.27278
• Monoisotopic Mass: 191.14224756
• SMILES: N1(c2ncccc2N)CCC(CC1)C
• Canonical SMILES: CC1CCN(CC1)c1ncccc1N
• InChI: InChI=1S/C11H17N3/c1-9-4-7-14(8-5-9)11-10(12)3-2-6-13-11/h2-3,6,9H,4-5,7-8,12H2,1H3
• InChIKey: JNBHCONHFUNVNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methylpiperidin-1-yl)pyridin-3-amine
• IUPAC Traditional name: 2-(4-methylpiperidin-1-yl)pyridin-3-amine
• Synonyms: 2-(4-Methyl-1-piperidinyl)-3-pyridinylamine

Database IDs

• MDL Number: MFCD08700154
• PubChem SID: 162053278
• PubChem CID: 16773072

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5558453
• LogD (pH = 7.4): 1.6247785
• Log P: 1.7665341
• Molar Refractivity: 60.0342 cm^3
• Polarizability: 22.031487 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false