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

• ChemBase ID: 48513
• Molecular Formular: C11H17N3
• Molecular Mass: 191.27278
• Monoisotopic Mass: 191.14224756
• SMILES: N1(c2ncccc2N)C(C)CCCC1
• Canonical SMILES: CC1CCCCN1c1ncccc1N
• InChI: InChI=1S/C11H17N3/c1-9-5-2-3-8-14(9)11-10(12)6-4-7-13-11/h4,6-7,9H,2-3,5,8,12H2,1H3
• InChIKey: YXEBYYZOEUAFTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09043299
• PubChem SID: 162053276
• PubChem CID: 16771003

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7007169
• LogD (pH = 7.4): 1.7630805
• Log P: 1.89609
• Molar Refractivity: 59.9044 cm^3
• Polarizability: 22.031384 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