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ScientificNameLabel
N-Acetylpiperidine
PHCD compound ID : 5409
Chemical Names :
N-Acetylpiperidine
Molecular Formula : C7H13N1O1
Molecular Weight : 127.099714
More Details :
Names & Synonyms: 1-(1-piperidyl)ethanone , 1-(1-piperidinyl)ethanone , 1-piperidin-1-ylethanone , 1-piperidinoethanone
Smiles: CC(=O)N1CCCCC1
InChi : InChI=1S/C7H13NO/c1-7(9)8-5-3-2-4-6-8/h2-6H2,1H3
InChi Key : InChIKey=KDISMIMTGUMORD-UHFFFAOYSA-N
PubChem ID : 12058
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.236413
Hydrogen bond donor count : 0 Electric dipole moment : 4.093
XLogP : 0.716 VDW volume : 134.422421
Molecular weight : 127.099714 HOMO-LUMO gap : 10.588000
Herb list :
Refrences & Litretures:
  
895.      Journal:'Pharmaceutical Biology'      Year:'2003'      Volume:'41'      Page:'399'      DOI:'10.1076/phbi.41.6.399.17826'      Title:'Volatile Compounds in Crude Salvadora persica Extracts'
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