9H-fluoren-9-ylmethyl 4-aminopiperidine-1-carboxylate hydrochloride

• ChemBase ID: 51817
• Molecular Formular: C20H23ClN2O2
• Molecular Mass: 358.86182
• Monoisotopic Mass: 358.14480567
• SMILES: C1(c2c(c3c1cccc3)cccc2)COC(=O)N1CCC(CC1)N.Cl
• Canonical SMILES: NC1CCN(CC1)C(=O)OCC1c2ccccc2c2c1cccc2.Cl
• InChI: InChI=1S/C20H22N2O2.ClH/c21-14-9-11-22(12-10-14)20(23)24-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19;/h1-8,14,19H,9-13,21H2;1H
• InChIKey: YIXVYQOOGAVFMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-ylmethyl 4-aminopiperidine-1-carboxylate hydrochloride
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl 4-aminopiperidine-1-carboxylate hydrochloride
• Synonyms: 9H-Fluoren-9-ylmethyl 4-aminopiperidine-1-carboxylate hydrochloride

Database IDs

• CAS Number: 36397-19-0; 811841-89-1
• MDL Number: MFCD03001675
• PubChem SID: 162056580
• PubChem CID: 2756229

CALCULATED PROPERTIES

• Acid pKa: 17.404562
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.58440036
• LogD (pH = 7.4): -0.015406307
• Log P: 2.4334235
• Molar Refractivity: 94.2771 cm^3
• Polarizability: 38.005672 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%