tert-butyl 2,5-dicyclopropylpiperazine-1-carboxylate

• ChemBase ID: 278786
• Molecular Formular: C15H26N2O2
• Molecular Mass: 266.37914
• Monoisotopic Mass: 266.19942808
• SMILES: N1(C(=O)OC(C)(C)C)C(C2CC2)CNC(C1)C1CC1
• Canonical SMILES: O=C(N1CC(NCC1C1CC1)C1CC1)OC(C)(C)C
• InChI: InChI=1S/C15H26N2O2/c1-15(2,3)19-14(18)17-9-12(10-4-5-10)16-8-13(17)11-6-7-11/h10-13,16H,4-9H2,1-3H3
• InChIKey: LJTPAFSSEODCRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2,5-dicyclopropylpiperazine-1-carboxylate
• IUPAC Traditional name: tert-butyl 2,5-dicyclopropylpiperazine-1-carboxylate
• Synonyms: tert-butyl 2,5-dicyclopropylpiperazine-1-carboxylate

Database IDs

• MDL Number: MFCD20233512
• PubChem SID: 164334696
• PubChem CID: 54594989

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.38875738
• LogD (pH = 7.4): 1.3359925
• Log P: 2.235075
• Molar Refractivity: 73.6683 cm^3
• Polarizability: 29.59921 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.311

Product Information

• Purity: 95%