1-[4-[(2-chloro-6-fluorophenyl)methoxyimino]piperidin-1-yl]-2,2-dimethylpropan-1-one

C17H22ClFN2O2 — CID 60523188

IUPAC1-[4-[(2-chloro-6-fluorophenyl)methoxyimino]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(=NOCc2c(F)cccc2Cl)CC1
InChIInChI=1S/C17H22ClFN2O2/c1-17(2,3)16(22)21-9-7-12(8-10-21)20-23-11-13-14(18)5-4-6-15(13)19/h4-6H,7-11H2,1-3H3
InChIKeyZWMMTFOBVYLGRN-UHFFFAOYSA-N
MW340.83 g/mol
LogP4.02
Rot. Bonds3

About 1-[4-[(2-chloro-6-fluorophenyl)methoxyimino]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[(2-chloro-6-fluorophenyl)methoxyimino]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 60523188) has the molecular formula C17H22ClFN2O2 and a molecular weight of 340.83 g/mol. Its IUPAC name is 1-[4-[(2-chloro-6-fluorophenyl)methoxyimino]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(2-chloro-6-fluorophenyl)methoxyimino]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID60523188
Molecular FormulaC17H22ClFN2O2
Molecular Weight340.83 g/mol
Exact Mass340.14
IUPAC Name1-[4-[(2-chloro-6-fluorophenyl)methoxyimino]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(=NOCc2c(F)cccc2Cl)CC1
InChIInChI=1S/C17H22ClFN2O2/c1-17(2,3)16(22)21-9-7-12(8-10-21)20-23-11-13-14(18)5-4-6-15(13)19/h4-6H,7-11H2,1-3H3
InChIKeyZWMMTFOBVYLGRN-UHFFFAOYSA-N
XLogP4.02
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chloro-6-fluorophenyl)methoxyimino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[(2-chloro-6-fluorophenyl)methoxyimino]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 60523188) is 1-[4-[(2-chloro-6-fluorophenyl)methoxyimino]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[(2-chloro-6-fluorophenyl)methoxyimino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[(2-chloro-6-fluorophenyl)methoxyimino]piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(=NOCc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-[4-[(2-chloro-6-fluorophenyl)methoxyimino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is ZWMMTFOBVYLGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O2/c1-17(2,3)16(22)21-9-7-12(8-10-21)20-23-11-13-14(18)5-4-6-15(13)19/h4-6H,7-11H2,1-3H3.
What are the key properties of 1-[4-[(2-chloro-6-fluorophenyl)methoxyimino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[(2-chloro-6-fluorophenyl)methoxyimino]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 340.83 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chloro-6-fluorophenyl)methoxyimino]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 60523188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).