1-(pyridin-2-ylmethyl)piperidin-4-amine

• ChemBase ID: 19066
• Molecular Formular: C11H17N3
• Molecular Mass: 191.27278
• Monoisotopic Mass: 191.14224756
• SMILES: N1(Cc2ncccc2)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)Cc1ccccn1
• InChI: InChI=1S/C11H17N3/c12-10-4-7-14(8-5-10)9-11-3-1-2-6-13-11/h1-3,6,10H,4-5,7-9,12H2
• InChIKey: MHKZEPLHUMBAES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-2-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: 1-(pyridin-2-ylmethyl)piperidin-4-amine
• Synonyms: 1-(pyridin-2-ylmethyl)piperidin-4-amine; 1-Pyridin-2-ylmethyl-piperidin-4-ylamine

Database IDs

• CAS Number: 160357-91-5
• MDL Number: MFCD08445804
• PubChem SID: 160982373
• PubChem CID: 16772111

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.1857457
• LogD (pH = 7.4): -2.7827618
• Log P: -0.010380157
• Molar Refractivity: 57.3034 cm^3
• Polarizability: 22.81802 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.315

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%