6-(4-methylpiperidin-1-yl)pyridin-3-amine

• ChemBase ID: 48325
• Molecular Formular: C11H17N3
• Molecular Mass: 191.27278
• Monoisotopic Mass: 191.14224756
• SMILES: N1(c2ncc(N)cc2)CCC(CC1)C
• Canonical SMILES: CC1CCN(CC1)c1ccc(cn1)N
• InChI: InChI=1S/C11H17N3/c1-9-4-6-14(7-5-9)11-3-2-10(12)8-13-11/h2-3,8-9H,4-7,12H2,1H3
• InChIKey: HEVSOVFIHZLGNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-methylpiperidin-1-yl)pyridin-3-amine
• IUPAC Traditional name: 6-(4-methylpiperidin-1-yl)pyridin-3-amine
• Synonyms: 6-(4-Methyl-1-piperidinyl)-3-pyridinylamine

Database IDs

• CAS Number: 767583-34-6
• MDL Number: MFCD08700205
• PubChem SID: 162053088
• PubChem CID: 16777261

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.61634237
• LogD (pH = 7.4): 1.6553961
• Log P: 1.7665341
• Molar Refractivity: 60.0342 cm^3
• Polarizability: 22.030106 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