2-(2,5-dimethylphenyl)-1-(4-hydroxyiminopiperidin-1-yl)ethanone

C15H20N2O2 — CID 62538187

IUPAC2-(2,5-dimethylphenyl)-1-(4-hydroxyiminopiperidin-1-yl)ethanone
SMILESCc1ccc(C)c(CC(=O)N2CCC(=NO)CC2)c1
InChIInChI=1S/C15H20N2O2/c1-11-3-4-12(2)13(9-11)10-15(18)17-7-5-14(16-19)6-8-17/h3-4,9,19H,5-8,10H2,1-2H3
InChIKeyFLCQBPYNITVWMB-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.30
Rot. Bonds2

About 2-(2,5-dimethylphenyl)-1-(4-hydroxyiminopiperidin-1-yl)ethanone

2-(2,5-dimethylphenyl)-1-(4-hydroxyiminopiperidin-1-yl)ethanone (PubChem CID 62538187) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(4-hydroxyiminopiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(4-hydroxyiminopiperidin-1-yl)ethanone
PubChem CID62538187
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(2,5-dimethylphenyl)-1-(4-hydroxyiminopiperidin-1-yl)ethanone
SMILESCc1ccc(C)c(CC(=O)N2CCC(=NO)CC2)c1
InChIInChI=1S/C15H20N2O2/c1-11-3-4-12(2)13(9-11)10-15(18)17-7-5-14(16-19)6-8-17/h3-4,9,19H,5-8,10H2,1-2H3
InChIKeyFLCQBPYNITVWMB-UHFFFAOYSA-N
XLogP2.30
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.30
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-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]ethanone
CID 114500701
2-(2,5-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80707439
1-[4-(2-aminoethyl)piperazin-1-yl]-2-(2,5-dimethylphenyl)ethanone
CID 62538822
methyl 4-[4-[2-(2,5-dimethylphenyl)acetyl]piperazin-1-yl]-4-oxobutanoate
CID 110801365
1-[4-(1-chloroethyl)piperidin-1-yl]-2-(2,5-dimethylphenyl)ethanone
CID 106838819
2-(2,5-dimethylphenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone
CID 110802397
1-(3-chloropiperidin-1-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63392909
2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 92681315
2-(2,5-dimethylphenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110802481
2-(2,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone
CID 95970810
1-[4-(2-chloroethoxy)piperidin-1-yl]-2-(2,5-dimethylphenyl)ethanone
CID 82688404
N-benzyl-4-[2-(2,5-dimethylphenyl)acetyl]piperazine-1-carboxamide
CID 110812883

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(4-hydroxyiminopiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(4-hydroxyiminopiperidin-1-yl)ethanone (CID 62538187) is 2-(2,5-dimethylphenyl)-1-(4-hydroxyiminopiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(4-hydroxyiminopiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(4-hydroxyiminopiperidin-1-yl)ethanone is Cc1ccc(C)c(CC(=O)N2CCC(=NO)CC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(4-hydroxyiminopiperidin-1-yl)ethanone?
The InChIKey is FLCQBPYNITVWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-3-4-12(2)13(9-11)10-15(18)17-7-5-14(16-19)6-8-17/h3-4,9,19H,5-8,10H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(4-hydroxyiminopiperidin-1-yl)ethanone?
2-(2,5-dimethylphenyl)-1-(4-hydroxyiminopiperidin-1-yl)ethanone has a molecular weight of 260.34 g/mol, XLogP of 2.30, 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-(4-hydroxyiminopiperidin-1-yl)ethanone is sourced from PubChem (CID 62538187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).