(4-bromophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone

C12H13BrN2O2 — CID 24705312

IUPAC(4-bromophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1)N1CCC(=NO)CC1
InChIInChI=1S/C12H13BrN2O2/c13-10-3-1-9(2-4-10)12(16)15-7-5-11(14-17)6-8-15/h1-4,17H,5-8H2
InChIKeyDWCLGELJGUZZKW-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.52
Rot. Bonds1

About (4-bromophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone

(4-bromophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone (PubChem CID 24705312) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is (4-bromophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
PubChem CID24705312
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name(4-bromophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1)N1CCC(=NO)CC1
InChIInChI=1S/C12H13BrN2O2/c13-10-3-1-9(2-4-10)12(16)15-7-5-11(14-17)6-8-15/h1-4,17H,5-8H2
InChIKeyDWCLGELJGUZZKW-UHFFFAOYSA-N
XLogP2.52
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.52
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-hydroxyiminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 24707311
(4-bromo-2-chlorophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 43805526
1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone
CID 23145474
(4-hydroxyiminopiperidin-1-yl)-thiophen-3-ylmethanone
CID 24699677
(4-bromophenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 114509319
[4-(4-bromobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108534348
1-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperidin-4-one
CID 127269784
3-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119309527
(4-hydroxyiminopiperidin-1-yl)-(3-methoxy-4-nitrophenyl)methanone
CID 104783452
2-[4-(4-bromobenzoyl)piperazin-1-yl]acetic acid
CID 43521570
N-[1-(4-bromophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 24695757
[4-(bromomethyl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 80678679

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone?
The IUPAC name of (4-bromophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone (CID 24705312) is (4-bromophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone is O=C(c1ccc(Br)cc1)N1CCC(=NO)CC1.
What is the InChIKey of (4-bromophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone?
The InChIKey is DWCLGELJGUZZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c13-10-3-1-9(2-4-10)12(16)15-7-5-11(14-17)6-8-15/h1-4,17H,5-8H2.
What are the key properties of (4-bromophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone?
(4-bromophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone has a molecular weight of 297.15 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone is sourced from PubChem (CID 24705312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).