4-(4-methylpiperazin-1-yl)pyridin-3-amine

• ChemBase ID: 262892
• Molecular Formular: C10H16N4
• Molecular Mass: 192.26084
• Monoisotopic Mass: 192.13749653
• SMILES: N1(c2c(N)cncc2)CCN(CC1)C
• Canonical SMILES: CN1CCN(CC1)c1ccncc1N
• InChI: InChI=1S/C10H16N4/c1-13-4-6-14(7-5-13)10-2-3-12-8-9(10)11/h2-3,8H,4-7,11H2,1H3
• InChIKey: UAJACUSQLFALEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methylpiperazin-1-yl)pyridin-3-amine
• IUPAC Traditional name: 4-(4-methylpiperazin-1-yl)pyridin-3-amine
• Synonyms: 4-(4-methylpiperazin-1-yl)pyridin-3-amine

Database IDs

• MDL Number: MFCD01704019
• PubChem SID: 164318802
• PubChem CID: 203473

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.1269279
• LogD (pH = 7.4): -1.4095424
• Log P: -0.118189126
• Molar Refractivity: 59.0802 cm^3
• Polarizability: 21.709845 Å^3
• Polar Surface Area: 45.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.884

Product Information

• Purity: 95%