N-[(4-bromophenyl)-(4-ethylpiperazin-1-yl)methylidene]hydroxylamine

C13H18BrN3O — CID 76670972

IUPACN-[(4-bromophenyl)-(4-ethylpiperazin-1-yl)methylidene]hydroxylamine
SMILESCCN1CCN(C(=NO)c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H18BrN3O/c1-2-16-7-9-17(10-8-16)13(15-18)11-3-5-12(14)6-4-11/h3-6,18H,2,7-10H2,1H3
InChIKeyRFWOPHGGIUSLCF-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.22
Rot. Bonds2

About N-[(4-bromophenyl)-(4-ethylpiperazin-1-yl)methylidene]hydroxylamine

N-[(4-bromophenyl)-(4-ethylpiperazin-1-yl)methylidene]hydroxylamine (PubChem CID 76670972) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is N-[(4-bromophenyl)-(4-ethylpiperazin-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-(4-ethylpiperazin-1-yl)methylidene]hydroxylamine
PubChem CID76670972
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC NameN-[(4-bromophenyl)-(4-ethylpiperazin-1-yl)methylidene]hydroxylamine
SMILESCCN1CCN(C(=NO)c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H18BrN3O/c1-2-16-7-9-17(10-8-16)13(15-18)11-3-5-12(14)6-4-11/h3-6,18H,2,7-10H2,1H3
InChIKeyRFWOPHGGIUSLCF-UHFFFAOYSA-N
XLogP2.22
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(4-bromophenyl)-(4-ethylpiperazin-1-yl)methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(E)-C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-2-iodopyridin-3-ol
CID 58053729
4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964467
4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43333210
2-(4-bromophenyl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone
CID 39075000
4-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)butan-1-one
CID 43229459
4-ethyl-N'-hydroxypiperazine-1-carboximidamide
CID 62481069
4-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide;trihydrochloride
CID 139714848
N-(4-bromophenyl)-2-[2-ethoxy-4-(4-ethylpiperazine-1-carbothioyl)phenoxy]acetamide
CID 126264063
(3-bromo-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 67385652
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
CID 60644690
2-(5-bromo-2-chlorophenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 166638870
(4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95326223

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-(4-ethylpiperazin-1-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(4-bromophenyl)-(4-ethylpiperazin-1-yl)methylidene]hydroxylamine (CID 76670972) is N-[(4-bromophenyl)-(4-ethylpiperazin-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(4-bromophenyl)-(4-ethylpiperazin-1-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(4-bromophenyl)-(4-ethylpiperazin-1-yl)methylidene]hydroxylamine is CCN1CCN(C(=NO)c2ccc(Br)cc2)CC1.
What is the InChIKey of N-[(4-bromophenyl)-(4-ethylpiperazin-1-yl)methylidene]hydroxylamine?
The InChIKey is RFWOPHGGIUSLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-2-16-7-9-17(10-8-16)13(15-18)11-3-5-12(14)6-4-11/h3-6,18H,2,7-10H2,1H3.
What are the key properties of N-[(4-bromophenyl)-(4-ethylpiperazin-1-yl)methylidene]hydroxylamine?
N-[(4-bromophenyl)-(4-ethylpiperazin-1-yl)methylidene]hydroxylamine has a molecular weight of 312.21 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-(4-ethylpiperazin-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 76670972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).