1-(piperazin-2-yl)propan-2-amine

• ChemBase ID: 259309
• Molecular Formular: C7H17N3
• Molecular Mass: 143.22998
• Monoisotopic Mass: 143.14224756
• SMILES: N1C(CC(N)C)CNCC1
• Canonical SMILES: CC(CC1CNCCN1)N
• InChI: InChI=1S/C7H17N3/c1-6(8)4-7-5-9-2-3-10-7/h6-7,9-10H,2-5,8H2,1H3
• InChIKey: REQCZTUHOYNSOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperazin-2-yl)propan-2-amine
• IUPAC Traditional name: 1-(piperazin-2-yl)propan-2-amine
• Synonyms: 1-(piperazin-2-yl)propan-2-amine

Database IDs

• MDL Number: MFCD11858011
• PubChem SID: 164315219
• PubChem CID: 45791411

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -7.172926
• LogD (pH = 7.4): -5.6288123
• Log P: -0.9894888
• Molar Refractivity: 42.353 cm^3
• Polarizability: 17.48637 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.517

Product Information

• Purity: 95%