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

• ChemBase ID: 805992
• Molecular Formular: C20H26N2O2
• Molecular Mass: 326.43264
• Monoisotopic Mass: 326.19942808
• SMILES: [C@H]1(CNCCN1C(=O)OC(C)(C)C)Cc1ccc2c(cccc2)c1
• Canonical SMILES: O=C(N1CCNC[C@H]1Cc1ccc2c(c1)cccc2)OC(C)(C)C
• InChI: InChI=1S/C20H26N2O2/c1-20(2,3)24-19(23)22-11-10-21-14-18(22)13-15-8-9-16-6-4-5-7-17(16)12-15/h4-9,12,18,21H,10-11,13-14H2,1-3H3/t18-/m1/s1
• InChIKey: ZMYKBDLDTXCRMB-GOSISDBHSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4958224
• LogD (pH = 7.4): 3.17227
• Log P: 3.6167643
• Molar Refractivity: 95.9319 cm^3
• Polarizability: 38.983486 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%