tert-butyl 3-(cyclopropylamino)piperidine-1-carboxylate

• ChemBase ID: 271804
• Molecular Formular: C13H24N2O2
• Molecular Mass: 240.34186
• Monoisotopic Mass: 240.18377802
• SMILES: C(=O)(N1CC(NC2CC2)CCC1)OC(C)(C)C
• Canonical SMILES: O=C(N1CCCC(C1)NC1CC1)OC(C)(C)C
• InChI: InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-8-4-5-11(9-15)14-10-6-7-10/h10-11,14H,4-9H2,1-3H3
• InChIKey: NCKAETPZBCKKQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 3-(cyclopropylamino)piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 3-(cyclopropylamino)piperidine-1-carboxylate
• Synonyms: tert-butyl 3-(cyclopropylamino)piperidine-1-carboxylate

Database IDs

• MDL Number: MFCD06656623
• PubChem SID: 164327714
• PubChem CID: 50986436

CALCULATED PROPERTIES

• LogD (pH = 7.4): -0.408769
• Log P: 1.6570402
• Molar Refractivity: 66.8353 cm^3
• Polarizability: 26.645468 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5139427

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.554

Product Information

• Purity: 95%