(3,4-dimethylphenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone

C16H22N2O2 — CID 114509270

IUPAC(3,4-dimethylphenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
SMILESCCC1CN(C(=O)c2ccc(C)c(C)c2)CC/C1=N\O
InChIInChI=1S/C16H22N2O2/c1-4-13-10-18(8-7-15(13)17-20)16(19)14-6-5-11(2)12(3)9-14/h5-6,9,13,20H,4,7-8,10H2,1-3H3/b17-15+
InChIKeyNYYPRERLPNTHBW-BMRADRMJSA-N
MW274.36 g/mol
LogP3.01
Rot. Bonds2

About (3,4-dimethylphenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone

(3,4-dimethylphenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone (PubChem CID 114509270) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
PubChem CID114509270
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(3,4-dimethylphenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
SMILESCCC1CN(C(=O)c2ccc(C)c(C)c2)CC/C1=N\O
InChIInChI=1S/C16H22N2O2/c1-4-13-10-18(8-7-15(13)17-20)16(19)14-6-5-11(2)12(3)9-14/h5-6,9,13,20H,4,7-8,10H2,1-3H3/b17-15+
InChIKeyNYYPRERLPNTHBW-BMRADRMJSA-N
XLogP3.01
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.01
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

(4-bromophenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 114509319
(3,5-dibromophenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 107972408
[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-(4-nitrophenyl)methanone
CID 114509311
3-ethyl-4-hydroxyimino-N-propylpiperidine-1-carboxamide
CID 104931324
(2,4-dichlorophenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 114509238
(2,5-dibromothiophen-3-yl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 107962416
(5-chlorofuran-2-yl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 106687404
(5-bromofuran-2-yl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 114509384
(3,4-dihydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 107728447
2,3-dihydro-1H-inden-2-yl-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 106892974
phenyl (4E)-3-ethyl-4-hydroxyiminopiperidine-1-carboxylate
CID 114509409
N,3-diethyl-4-hydroxyimino-N-methylpiperidine-1-carboxamide
CID 104931321

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone (CID 114509270) is (3,4-dimethylphenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone is CCC1CN(C(=O)c2ccc(C)c(C)c2)CC/C1=N\O.
What is the InChIKey of (3,4-dimethylphenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone?
The InChIKey is NYYPRERLPNTHBW-BMRADRMJSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-13-10-18(8-7-15(13)17-20)16(19)14-6-5-11(2)12(3)9-14/h5-6,9,13,20H,4,7-8,10H2,1-3H3/b17-15+.
What are the key properties of (3,4-dimethylphenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone?
(3,4-dimethylphenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone has a molecular weight of 274.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone is sourced from PubChem (CID 114509270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).