1-(pyrazin-2-yl)piperidin-3-amine

• ChemBase ID: 309676
• Molecular Formular: C9H14N4
• Molecular Mass: 178.23426
• Monoisotopic Mass: 178.12184647
• SMILES: N1(c2nccnc2)CC(N)CCC1
• Canonical SMILES: NC1CCCN(C1)c1cnccn1
• InChI: InChI=1S/C9H14N4/c10-8-2-1-5-13(7-8)9-6-11-3-4-12-9/h3-4,6,8H,1-2,5,7,10H2
• InChIKey: QGYMAHRAAGMMDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrazin-2-yl)piperidin-3-amine
• IUPAC Traditional name: 1-(pyrazin-2-yl)piperidin-3-amine
• Synonyms: 1-(2-pyrazinyl)-3-piperidinamine

Database IDs

• CAS Number: 1185319-30-5
• MDL Number: MFCD14617952

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.1044018
• LogD (pH = 7.4): -2.453563
• Log P: -0.09101692
• Molar Refractivity: 51.6473 cm^3
• Polarizability: 19.67844 Å^3
• Polar Surface Area: 55.04 Å^2