9H-fluoren-9-ylmethyl 4-(aminomethyl)piperidine-1-carboxylate hydrochloride

• ChemBase ID: 51816
• Molecular Formular: C21H25ClN2O2
• Molecular Mass: 372.8884
• Monoisotopic Mass: 372.16045573
• SMILES: C1(c2c(c3c1cccc3)cccc2)COC(=O)N1CCC(CC1)CN.Cl
• Canonical SMILES: NCC1CCN(CC1)C(=O)OCC1c2ccccc2c2c1cccc2.Cl
• InChI: InChI=1S/C21H24N2O2.ClH/c22-13-15-9-11-23(12-10-15)21(24)25-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20;/h1-8,15,20H,9-14,22H2;1H
• InChIKey: XJPZHAOBBSZRGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-ylmethyl 4-(aminomethyl)piperidine-1-carboxylate hydrochloride
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl 4-(aminomethyl)piperidine-1-carboxylate hydrochloride
• Synonyms: 9H-Fluoren-9-ylmethyl 4-(aminomethyl)piperidine-1-carboxylate hydrochloride; 1-Fmoc-4-(Aminomethyl)piperidine hydrochloride

Database IDs

• CAS Number: 391248-14-9
• MDL Number: MFCD02179398
• PubChem SID: 162056579
• PubChem CID: 2756494

CALCULATED PROPERTIES

• Acid pKa: 17.404562
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.12154122
• LogD (pH = 7.4): 0.49094766
• Log P: 2.8940241
• Molar Refractivity: 99.0951 cm^3
• Polarizability: 39.85188 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%