2-(4-bromophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone

C15H19BrN2O2 — CID 114509312

IUPAC2-(4-bromophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone
SMILESCCC1CN(C(=O)Cc2ccc(Br)cc2)CC/C1=N\O
InChIInChI=1S/C15H19BrN2O2/c1-2-12-10-18(8-7-14(12)17-20)15(19)9-11-3-5-13(16)6-4-11/h3-6,12,20H,2,7-10H2,1H3/b17-14+
InChIKeyKIEUEKATUMEARD-SAPNQHFASA-N
MW339.23 g/mol
LogP3.08
Rot. Bonds3

About 2-(4-bromophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone

2-(4-bromophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone (PubChem CID 114509312) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone
PubChem CID114509312
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name2-(4-bromophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone
SMILESCCC1CN(C(=O)Cc2ccc(Br)cc2)CC/C1=N\O
InChIInChI=1S/C15H19BrN2O2/c1-2-12-10-18(8-7-14(12)17-20)15(19)9-11-3-5-13(16)6-4-11/h3-6,12,20H,2,7-10H2,1H3/b17-14+
InChIKeyKIEUEKATUMEARD-SAPNQHFASA-N
XLogP3.08
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-difluorophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone
CID 114509184
(5-bromofuran-2-yl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 114509384
(3,5-dibromophenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 107972408
1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone
CID 114500853
1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)octan-1-one
CID 104931312
[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone
CID 114509248
3-ethyl-1-(2-phenylacetyl)piperidin-4-one
CID 114508365
3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one
CID 104931309
2-(4-bromophenyl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121186980
2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 875891
phenyl (4E)-3-ethyl-4-hydroxyiminopiperidine-1-carboxylate
CID 114509409
2,3-dihydro-1H-inden-2-yl-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 106892974

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone (CID 114509312) is 2-(4-bromophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone is CCC1CN(C(=O)Cc2ccc(Br)cc2)CC/C1=N\O.
What is the InChIKey of 2-(4-bromophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone?
The InChIKey is KIEUEKATUMEARD-SAPNQHFASA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-2-12-10-18(8-7-14(12)17-20)15(19)9-11-3-5-13(16)6-4-11/h3-6,12,20H,2,7-10H2,1H3/b17-14+.
What are the key properties of 2-(4-bromophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone?
2-(4-bromophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone has a molecular weight of 339.23 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone is sourced from PubChem (CID 114509312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).