tert-butyl (2R)-2-[(naphthalen-1-yl)methyl]piperazine-1-carboxylate

• ChemBase ID: 805986
• Molecular Formular: C20H26N2O2
• Molecular Mass: 326.43264
• Monoisotopic Mass: 326.19942808
• SMILES: [C@H]1(CNCCN1C(=O)OC(C)(C)C)Cc1c2ccccc2ccc1
• Canonical SMILES: O=C(N1CCNC[C@H]1Cc1cccc2c1cccc2)OC(C)(C)C
• InChI: InChI=1S/C20H26N2O2/c1-20(2,3)24-19(23)22-12-11-21-14-17(22)13-16-9-6-8-15-7-4-5-10-18(15)16/h4-10,17,21H,11-14H2,1-3H3/t17-/m1/s1
• InChIKey: BODNVBNTOKKBIW-QGZVFWFLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl (2R)-2-[(naphthalen-1-yl)methyl]piperazine-1-carboxylate
• IUPAC Traditional name: tert-butyl (2R)-2-(naphthalen-1-ylmethyl)piperazine-1-carboxylate
• Synonyms: (R)-2-NAPHTHALEN-1-YLMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

CALCULATED PROPERTIES

• Log P: 3.6167643
• Molar Refractivity: 95.9319 cm^3
• Polarizability: 38.98392 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.507968
• LogD (pH = 7.4): 3.1806839

PROPERTIES

Product Information

• Purity: 98%