(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-piperidin-1-ylbutan-1-one

C16H20Cl2N2O2 — CID 44622626

IUPAC(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-piperidin-1-ylbutan-1-one
SMILESCO/N=C(/CCC(=O)N1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H20Cl2N2O2/c1-22-19-15(12-5-6-13(17)14(18)11-12)7-8-16(21)20-9-3-2-4-10-20/h5-6,11H,2-4,7-10H2,1H3/b19-15-
InChIKeyJRCISARFEYMWLW-CYVLTUHYSA-N
MW343.25 g/mol
LogP4.14
Rot. Bonds5

About (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-piperidin-1-ylbutan-1-one

(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-piperidin-1-ylbutan-1-one (PubChem CID 44622626) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-piperidin-1-ylbutan-1-one
PubChem CID44622626
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-piperidin-1-ylbutan-1-one
SMILESCO/N=C(/CCC(=O)N1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H20Cl2N2O2/c1-22-19-15(12-5-6-13(17)14(18)11-12)7-8-16(21)20-9-3-2-4-10-20/h5-6,11H,2-4,7-10H2,1H3/b19-15-
InChIKeyJRCISARFEYMWLW-CYVLTUHYSA-N
XLogP4.14
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 54.14
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 (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-piperidin-1-ylbutan-1-one?
The IUPAC name of (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-piperidin-1-ylbutan-1-one (CID 44622626) is (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-piperidin-1-ylbutan-1-one is CO/N=C(/CCC(=O)N1CCCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-piperidin-1-ylbutan-1-one?
The InChIKey is JRCISARFEYMWLW-CYVLTUHYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c1-22-19-15(12-5-6-13(17)14(18)11-12)7-8-16(21)20-9-3-2-4-10-20/h5-6,11H,2-4,7-10H2,1H3/b19-15-.
What are the key properties of (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-piperidin-1-ylbutan-1-one?
(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-piperidin-1-ylbutan-1-one has a molecular weight of 343.25 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 44622626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).