(4-bromo-2-chlorophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone

C12H12BrClN2O2 — CID 43805526

IUPAC(4-bromo-2-chlorophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1Cl)N1CCC(=NO)CC1
InChIInChI=1S/C12H12BrClN2O2/c13-8-1-2-10(11(14)7-8)12(17)16-5-3-9(15-18)4-6-16/h1-2,7,18H,3-6H2
InChIKeyXJOSXWAVGKFSFV-UHFFFAOYSA-N
MW331.60 g/mol
LogP3.17
Rot. Bonds1

About (4-bromo-2-chlorophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone

(4-bromo-2-chlorophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone (PubChem CID 43805526) has the molecular formula C12H12BrClN2O2 and a molecular weight of 331.60 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
PubChem CID43805526
Molecular FormulaC12H12BrClN2O2
Molecular Weight331.60 g/mol
Exact Mass329.98
IUPAC Name(4-bromo-2-chlorophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1Cl)N1CCC(=NO)CC1
InChIInChI=1S/C12H12BrClN2O2/c13-8-1-2-10(11(14)7-8)12(17)16-5-3-9(15-18)4-6-16/h1-2,7,18H,3-6H2
InChIKeyXJOSXWAVGKFSFV-UHFFFAOYSA-N
XLogP3.17
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.60
LogP ≤ 53.17
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)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 24705312
1-(4-bromo-2-chlorobenzoyl)-3-methylpiperidin-4-one
CID 114499747
(2,5-dichlorothiophen-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 107962407
(3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone
CID 62068423
(2,3-dihydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 114343719
1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041998
2-[4-(4-bromo-2-chlorobenzoyl)piperazin-1-yl]-2-methylpropanenitrile
CID 63337440
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
(4-bromo-2-chlorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114679899
1-(2,4-dichlorobenzoyl)piperidin-4-one
CID 24690626
(4-bromo-2-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999531
(4-bromo-2-chlorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627491

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone?
The IUPAC name of (4-bromo-2-chlorophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone (CID 43805526) is (4-bromo-2-chlorophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone is O=C(c1ccc(Br)cc1Cl)N1CCC(=NO)CC1.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone?
The InChIKey is XJOSXWAVGKFSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O2/c13-8-1-2-10(11(14)7-8)12(17)16-5-3-9(15-18)4-6-16/h1-2,7,18H,3-6H2.
What are the key properties of (4-bromo-2-chlorophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone?
(4-bromo-2-chlorophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone has a molecular weight of 331.60 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone is sourced from PubChem (CID 43805526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).