tert-butyl N-[1-(2-aminoacetyl)piperidin-4-yl]carbamate

• ChemBase ID: 282475
• Molecular Formular: C12H23N3O3
• Molecular Mass: 257.32932
• Monoisotopic Mass: 257.17394161
• SMILES: N1(C(=O)CN)CCC(NC(=O)OC(C)(C)C)CC1
• Canonical SMILES: NCC(=O)N1CCC(CC1)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C12H23N3O3/c1-12(2,3)18-11(17)14-9-4-6-15(7-5-9)10(16)8-13/h9H,4-8,13H2,1-3H3,(H,14,17)
• InChIKey: JCGBFZUMEHAGBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[1-(2-aminoacetyl)piperidin-4-yl]carbamate
• IUPAC Traditional name: tert-butyl N-[1-(2-aminoacetyl)piperidin-4-yl]carbamate
• Synonyms: tert-butyl N-[1-(2-aminoacetyl)piperidin-4-yl]carbamate

Database IDs

• MDL Number: MFCD18089592
• PubChem SID: 180668006
• PubChem CID: 50986486

CALCULATED PROPERTIES

• Acid pKa: 15.077252
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.2917187
• LogD (pH = 7.4): -1.6076356
• Log P: -0.80379087
• Molar Refractivity: 67.8738 cm^3
• Polarizability: 26.779377 Å^3
• Polar Surface Area: 84.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.505

Product Information

• Purity: 95%