1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide

C14H18BrN3O3 — CID 107730102

IUPAC1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCC1(/C(N)=N/O)CCN(C(=O)c2cc(Br)ccc2O)CC1
InChIInChI=1S/C14H18BrN3O3/c1-14(13(16)17-21)4-6-18(7-5-14)12(20)10-8-9(15)2-3-11(10)19/h2-3,8,19,21H,4-7H2,1H3,(H2,16,17)
InChIKeyBKXUTSCMWQGFDE-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.14
Rot. Bonds2

About 1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide

1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide (PubChem CID 107730102) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is 1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
PubChem CID107730102
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCC1(/C(N)=N/O)CCN(C(=O)c2cc(Br)ccc2O)CC1
InChIInChI=1S/C14H18BrN3O3/c1-14(13(16)17-21)4-6-18(7-5-14)12(20)10-8-9(15)2-3-11(10)19/h2-3,8,19,21H,4-7H2,1H3,(H2,16,17)
InChIKeyBKXUTSCMWQGFDE-UHFFFAOYSA-N
XLogP2.14
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.14
H-Bond Donors ≤ 53
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

1-(2-bromo-4-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162495
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone;hydrochloride
CID 120806998
1-(3,6-dimethylpyridazine-4-carbonyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162433
1-(2-ethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162545
1-(3,4-dimethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162321
N'-hydroxy-4-methyl-1-(2-methylpyridine-3-carbonyl)piperidine-4-carboximidamide
CID 107162575
1-(2-chloro-3-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162439
1-(2,6-dichlorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162411
1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162552
(5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 86981386
N'-hydroxy-4-methyl-1-(5-methylfuran-2-carbonyl)piperidine-4-carboximidamide
CID 107162414
1-(3-fluoro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162578

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide (CID 107730102) is 1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide is CC1(/C(N)=N/O)CCN(C(=O)c2cc(Br)ccc2O)CC1.
What is the InChIKey of 1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The InChIKey is BKXUTSCMWQGFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c1-14(13(16)17-21)4-6-18(7-5-14)12(20)10-8-9(15)2-3-11(10)19/h2-3,8,19,21H,4-7H2,1H3,(H2,16,17).
What are the key properties of 1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide has a molecular weight of 356.22 g/mol, XLogP of 2.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107730102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).