4-amino-N-ethylpiperidine-1-carboxamide

• ChemBase ID: 308650
• Molecular Formular: C8H17N3O
• Molecular Mass: 171.24008
• Monoisotopic Mass: 171.13716218
• SMILES: C(=O)(N1CCC(CC1)N)NCC
• Canonical SMILES: CCNC(=O)N1CCC(CC1)N
• InChI: InChI=1S/C8H17N3O/c1-2-10-8(12)11-5-3-7(9)4-6-11/h7H,2-6,9H2,1H3,(H,10,12)
• InChIKey: XBQGGUMDRALSIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-ethylpiperidine-1-carboxamide
• IUPAC Traditional name: 4-amino-N-ethylpiperidine-1-carboxamide
• Synonyms: 4-amino-N-ethyl-1-piperidinecarboxamide

Database IDs

• CAS Number: 675112-80-8
• MDL Number: MFCD11213426

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.142645
• LogD (pH = 7.4): -3.5736768
• Log P: -1.1248199
• Molar Refractivity: 47.9631 cm^3
• Polarizability: 18.61435 Å^3
• Polar Surface Area: 58.36 Å^2