1-tert-butyl-3,3-dimethylpiperazine

• ChemBase ID: 248036
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1(C(C)(C)C)CC(NCC1)(C)C
• Canonical SMILES: CC1(C)NCCN(C1)C(C)(C)C
• InChI: InChI=1S/C10H22N2/c1-9(2,3)12-7-6-11-10(4,5)8-12/h11H,6-8H2,1-5H3
• InChIKey: ROYGZKCBJURQPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-tert-butyl-3,3-dimethylpiperazine
• IUPAC Traditional name: 1-tert-butyl-3,3-dimethylpiperazine
• Synonyms: 1-tert-butyl-3,3-dimethylpiperazine

Database IDs

• MDL Number: MFCD16301347
• PubChem SID: 164303946
• PubChem CID: 57665743

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0688396
• LogD (pH = 7.4): -1.4790567
• Log P: 1.4053525
• Molar Refractivity: 53.6061 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.867

Product Information

• Purity: 95%