(9H-fluoren-9-yl)methyl (2S)-2-methylpiperazine-1-carboxylate hydrochloride

• ChemBase ID: 812032
• Molecular Formular: C20H23ClN2O2
• Molecular Mass: 358.86182
• Monoisotopic Mass: 358.14480567
• SMILES: Cl.[C@@H]1(CNCCN1C(=O)OCC1c2ccccc2c2c1cccc2)C
• Canonical SMILES: C[C@H]1CNCCN1C(=O)OCC1c2ccccc2c2c1cccc2.Cl
• InChI: InChI=1S/C20H22N2O2.ClH/c1-14-12-21-10-11-22(14)20(23)24-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19;/h2-9,14,19,21H,10-13H2,1H3;1H/t14-;/m0./s1
• InChIKey: VVCUZMZSBHXCNI-UQKRIMTDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9H-fluoren-9-yl)methyl (2S)-2-methylpiperazine-1-carboxylate hydrochloride
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl (2S)-2-methylpiperazine-1-carboxylate hydrochloride
• Synonyms: (S)-1-FMOC-2-METHYL-PIPERAZINE HYDROCHLORIDE

CALCULATED PROPERTIES

• Acid pKa: 17.404562
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.72475684
• LogD (pH = 7.4): 2.4535425
• Log P: 3.1028922
• Molar Refractivity: 94.0695 cm^3
• Polarizability: 38.005672 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%