4-bromo-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide

C14H19BrN4O — CID 114903960

IUPAC4-bromo-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Br)cc1N1CCN(C2CC2)CC1
InChIInChI=1S/C14H19BrN4O/c15-10-1-4-12(14(16)17-20)13(9-10)19-7-5-18(6-8-19)11-2-3-11/h1,4,9,11,20H,2-3,5-8H2,(H2,16,17)
InChIKeyFCBVHHZQIXXBRM-UHFFFAOYSA-N
MW339.24 g/mol
LogP1.83
Rot. Bonds3

About 4-bromo-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide

4-bromo-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide (PubChem CID 114903960) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is 4-bromo-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide
PubChem CID114903960
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name4-bromo-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Br)cc1N1CCN(C2CC2)CC1
InChIInChI=1S/C14H19BrN4O/c15-10-1-4-12(14(16)17-20)13(9-10)19-7-5-18(6-8-19)11-2-3-11/h1,4,9,11,20H,2-3,5-8H2,(H2,16,17)
InChIKeyFCBVHHZQIXXBRM-UHFFFAOYSA-N
XLogP1.83
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

4-bromo-2-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
CID 114904485
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-bromo-N'-hydroxybenzenecarboximidamide
CID 114903916
4-bromo-2-(3,5-dimethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 114903868
2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-bromo-N'-hydroxybenzenecarboximidamide
CID 114903972
4-bromo-2-(1,3-dihydroisoindol-2-yl)-N'-hydroxybenzenecarboximidamide
CID 114904035
4-bromo-N'-hydroxy-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)benzenecarboximidamide
CID 114904112
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chloro-N'-hydroxybenzenecarboximidamide
CID 79916493
5-bromo-N'-hydroxy-2-(4-methoxypiperidin-1-yl)benzenecarboximidamide
CID 114892399
5-bromo-2-(4-cyclopropylpiperazin-1-yl)benzonitrile
CID 113238334
[4-bromo-2-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine
CID 62368638
1-[5-bromo-2-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
CID 82972368
5-bromo-2-(4-cyclohexylpiperazin-1-yl)aniline
CID 117013658

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-bromo-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide (CID 114903960) is 4-bromo-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-bromo-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(Br)cc1N1CCN(C2CC2)CC1.
What is the InChIKey of 4-bromo-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is FCBVHHZQIXXBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O/c15-10-1-4-12(14(16)17-20)13(9-10)19-7-5-18(6-8-19)11-2-3-11/h1,4,9,11,20H,2-3,5-8H2,(H2,16,17).
What are the key properties of 4-bromo-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide?
4-bromo-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 339.24 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114903960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).