2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile

• ChemBase ID: 308702
• Molecular Formular: C11H14N4
• Molecular Mass: 202.25566
• Monoisotopic Mass: 202.12184647
• SMILES: c1(N2CCC(CC2)N)c(C#N)cccn1
• Canonical SMILES: N#Cc1cccnc1N1CCC(CC1)N
• InChI: InChI=1S/C11H14N4/c12-8-9-2-1-5-14-11(9)15-6-3-10(13)4-7-15/h1-2,5,10H,3-4,6-7,13H2
• InChIKey: MRESMYWILMJOIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile
• IUPAC Traditional name: 2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile
• Synonyms: 2-(4-amino-1-piperidinyl)nicotinonitrile

Database IDs

• CAS Number: 412355-86-3
• MDL Number: MFCD11852579

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.495044
• LogD (pH = 7.4): -1.9599104
• Log P: 0.5253488
• Molar Refractivity: 59.7466 cm^3
• Polarizability: 22.406122 Å^3
• Polar Surface Area: 65.94 Å^2