tert-butyl N-[2-(piperidin-4-yl)ethyl]carbamate hydrochloride

• ChemBase ID: 289870
• Molecular Formular: C12H25ClN2O2
• Molecular Mass: 264.7921
• Monoisotopic Mass: 264.16045573
• SMILES: O=C(OC(C)(C)C)NCCC1CCNCC1.Cl
• Canonical SMILES: O=C(OC(C)(C)C)NCCC1CCNCC1.Cl
• InChI: InChI=1S/C12H24N2O2.ClH/c1-12(2,3)16-11(15)14-9-6-10-4-7-13-8-5-10;/h10,13H,4-9H2,1-3H3,(H,14,15);1H
• InChIKey: FZEXNEXCLCANCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[2-(piperidin-4-yl)ethyl]carbamate hydrochloride
• IUPAC Traditional name: tert-butyl N-[2-(piperidin-4-yl)ethyl]carbamate hydrochloride
• Synonyms: tert-Butyl (2-(piperidin-4-yl)ethyl)carbamate hydrochloride; 4-(BOC-AMINOETHYL)PIPERIDINE HCL

Database IDs

• CAS Number: 1159826-58-0
• PubChem SID: 180675401
• PubChem CID: 50999071

CALCULATED PROPERTIES

• Acid pKa: 16.09459
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8939745
• LogD (pH = 7.4): -1.4376168
• Log P: 1.3376124
• Molar Refractivity: 64.4442 cm^3
• Polarizability: 25.531202 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%