2-(2,5-dimethylphenyl)-1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]ethanone

C16H22N2O2 — CID 114500701

IUPAC2-(2,5-dimethylphenyl)-1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]ethanone
SMILESCc1ccc(C)c(CC(=O)N2CC/C(=N\O)C(C)C2)c1
InChIInChI=1S/C16H22N2O2/c1-11-4-5-12(2)14(8-11)9-16(19)18-7-6-15(17-20)13(3)10-18/h4-5,8,13,20H,6-7,9-10H2,1-3H3/b17-15+
InChIKeyCQQJRZMCXBLUPX-BMRADRMJSA-N
MW274.36 g/mol
LogP2.54
Rot. Bonds2

About 2-(2,5-dimethylphenyl)-1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]ethanone

2-(2,5-dimethylphenyl)-1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]ethanone (PubChem CID 114500701) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]ethanone
PubChem CID114500701
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(2,5-dimethylphenyl)-1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]ethanone
SMILESCc1ccc(C)c(CC(=O)N2CC/C(=N\O)C(C)C2)c1
InChIInChI=1S/C16H22N2O2/c1-11-4-5-12(2)14(8-11)9-16(19)18-7-6-15(17-20)13(3)10-18/h4-5,8,13,20H,6-7,9-10H2,1-3H3/b17-15+
InChIKeyCQQJRZMCXBLUPX-BMRADRMJSA-N
XLogP2.54
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 ≤ 52.54
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-(2,5-dimethylphenyl)-1-(4-hydroxyiminopiperidin-1-yl)ethanone
CID 62538187
1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone
CID 114500853
1-(3-chloropiperidin-1-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63392909
1-[2-(2,5-dimethylphenyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63722057
1-[2-(chloromethyl)morpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone
CID 81210812
4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid
CID 62539492
1-(4-hydroxyimino-3-methylpiperidin-1-yl)-3-methoxypropan-1-one
CID 104930793
(2-ethylphenyl)-[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 114500832
2-(2,5-dimethylphenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934393
2-(2,5-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80707439
1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone
CID 102937921
(NE)-N-[1-[(2-chloro-4-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
CID 106863951

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]ethanone (CID 114500701) is 2-(2,5-dimethylphenyl)-1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]ethanone is Cc1ccc(C)c(CC(=O)N2CC/C(=N\O)C(C)C2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]ethanone?
The InChIKey is CQQJRZMCXBLUPX-BMRADRMJSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-4-5-12(2)14(8-11)9-16(19)18-7-6-15(17-20)13(3)10-18/h4-5,8,13,20H,6-7,9-10H2,1-3H3/b17-15+.
What are the key properties of 2-(2,5-dimethylphenyl)-1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]ethanone?
2-(2,5-dimethylphenyl)-1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]ethanone has a molecular weight of 274.36 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 114500701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).