1-(pyrazin-2-yl)piperidin-4-amine

• ChemBase ID: 309557
• Molecular Formular: C9H14N4
• Molecular Mass: 178.23426
• Monoisotopic Mass: 178.12184647
• SMILES: N1(c2nccnc2)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)c1nccnc1
• InChI: InChI=1S/C9H14N4/c10-8-1-5-13(6-2-8)9-7-11-3-4-12-9/h3-4,7-8H,1-2,5-6,10H2
• InChIKey: YKIUKRCSLWXOOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrazin-2-yl)piperidin-4-amine
• IUPAC Traditional name: 1-(pyrazin-2-yl)piperidin-4-amine
• Synonyms: 1-(2-pyrazinyl)-4-piperidinamine

Database IDs

• CAS Number: 440102-39-6
• MDL Number: MFCD09050965

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.5679982
• LogD (pH = 7.4): -3.0336688
• Log P: -0.54841983
• Molar Refractivity: 51.8681 cm^3
• Polarizability: 19.678484 Å^3
• Polar Surface Area: 55.04 Å^2