phenyl (4E)-3-ethyl-4-hydroxyiminopiperidine-1-carboxylate

C14H18N2O3 — CID 114509409

IUPACphenyl (4E)-3-ethyl-4-hydroxyiminopiperidine-1-carboxylate
SMILESCCC1CN(C(=O)Oc2ccccc2)CC/C1=N\O
InChIInChI=1S/C14H18N2O3/c1-2-11-10-16(9-8-13(11)15-18)14(17)19-12-6-4-3-5-7-12/h3-7,11,18H,2,8-10H2,1H3/b15-13+
InChIKeyMYNFMDRHNAXDEL-FYWRMAATSA-N
MW262.31 g/mol
LogP2.75
Rot. Bonds2

About phenyl (4E)-3-ethyl-4-hydroxyiminopiperidine-1-carboxylate

phenyl (4E)-3-ethyl-4-hydroxyiminopiperidine-1-carboxylate (PubChem CID 114509409) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is phenyl (4E)-3-ethyl-4-hydroxyiminopiperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl (4E)-3-ethyl-4-hydroxyiminopiperidine-1-carboxylate
PubChem CID114509409
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namephenyl (4E)-3-ethyl-4-hydroxyiminopiperidine-1-carboxylate
SMILESCCC1CN(C(=O)Oc2ccccc2)CC/C1=N\O
InChIInChI=1S/C14H18N2O3/c1-2-11-10-16(9-8-13(11)15-18)14(17)19-12-6-4-3-5-7-12/h3-7,11,18H,2,8-10H2,1H3/b15-13+
InChIKeyMYNFMDRHNAXDEL-FYWRMAATSA-N
XLogP2.75
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-2-methoxy-2-phenylethanone
CID 114509216
2,3-dihydro-1H-inden-2-yl-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 106892974
[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone
CID 114509248
3-ethyl-4-hydroxyimino-N-propylpiperidine-1-carboxamide
CID 104931324
(4-bromophenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 114509319
2-(2,6-difluorophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone
CID 114509184
(3,5-dibromophenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 107972408
N,3-diethyl-4-hydroxyimino-N-methylpiperidine-1-carboxamide
CID 104931321
2-(4-bromophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone
CID 114509312
(5-bromofuran-2-yl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 114509384
[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-(4-nitrophenyl)methanone
CID 114509311
(5-chlorofuran-2-yl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 106687404

Frequently Asked Questions

What is the IUPAC name of phenyl (4E)-3-ethyl-4-hydroxyiminopiperidine-1-carboxylate?
The IUPAC name of phenyl (4E)-3-ethyl-4-hydroxyiminopiperidine-1-carboxylate (CID 114509409) is phenyl (4E)-3-ethyl-4-hydroxyiminopiperidine-1-carboxylate.
What is the SMILES notation for phenyl (4E)-3-ethyl-4-hydroxyiminopiperidine-1-carboxylate?
The canonical SMILES for phenyl (4E)-3-ethyl-4-hydroxyiminopiperidine-1-carboxylate is CCC1CN(C(=O)Oc2ccccc2)CC/C1=N\O.
What is the InChIKey of phenyl (4E)-3-ethyl-4-hydroxyiminopiperidine-1-carboxylate?
The InChIKey is MYNFMDRHNAXDEL-FYWRMAATSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-11-10-16(9-8-13(11)15-18)14(17)19-12-6-4-3-5-7-12/h3-7,11,18H,2,8-10H2,1H3/b15-13+.
What are the key properties of phenyl (4E)-3-ethyl-4-hydroxyiminopiperidine-1-carboxylate?
phenyl (4E)-3-ethyl-4-hydroxyiminopiperidine-1-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (4E)-3-ethyl-4-hydroxyiminopiperidine-1-carboxylate is sourced from PubChem (CID 114509409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).