tert-butyl (3R)-3-cyclopentylpiperazine-1-carboxylate

• ChemBase ID: 806057
• Molecular Formular: C14H26N2O2
• Molecular Mass: 254.36844
• Monoisotopic Mass: 254.19942808
• SMILES: C1[C@H](NCCN1C(=O)OC(C)(C)C)C1CCCC1
• Canonical SMILES: O=C(N1CCN[C@@H](C1)C1CCCC1)OC(C)(C)C
• InChI: InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-9-8-15-12(10-16)11-6-4-5-7-11/h11-12,15H,4-10H2,1-3H3/t12-/m0/s1
• InChIKey: PKFRBQGRHHLBGM-LBPRGKRZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl (3R)-3-cyclopentylpiperazine-1-carboxylate
• IUPAC Traditional name: tert-butyl (3R)-3-cyclopentylpiperazine-1-carboxylate
• Synonyms: (R)-3-CYCLOPENTYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.3045612
• LogD (pH = 7.4): 1.424684
• Log P: 2.2838678
• Molar Refractivity: 71.2581 cm^3
• Polarizability: 28.48516 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%