2-(piperidin-1-yl)benzamide

• ChemBase ID: 78850
• Molecular Formular: C12H16N2O
• Molecular Mass: 204.26824
• Monoisotopic Mass: 204.12626314
• SMILES: N1(c2c(cccc2)C(=O)N)CCCCC1
• Canonical SMILES: NC(=O)c1ccccc1N1CCCCC1
• InChI: InChI=1S/C12H16N2O/c13-12(15)10-6-2-3-7-11(10)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-9H2,(H2,13,15)
• InChIKey: VTXYPPVXMJMLCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)benzamide
• IUPAC Traditional name: 2-(piperidin-1-yl)benzamide
• Synonyms: 2-piperidinobenzamide

Database IDs

• CAS Number: 3430-40-8
• MDL Number: MFCD00052257
• PubChem SID: 162043613
• PubChem CID: 335067

CALCULATED PROPERTIES

• Acid pKa: 14.8658495
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.780735
• LogD (pH = 7.4): 1.7822764
• Log P: 1.7822961
• Molar Refractivity: 61.707 cm^3
• Polarizability: 22.776518 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%