1-[(2-bromo-5-methoxyphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide

C15H22BrN3O2 — CID 107161901

IUPAC1-[(2-bromo-5-methoxyphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCOc1ccc(Br)c(CN2CCC(C)(/C(N)=N/O)CC2)c1
InChIInChI=1S/C15H22BrN3O2/c1-15(14(17)18-20)5-7-19(8-6-15)10-11-9-12(21-2)3-4-13(11)16/h3-4,9,20H,5-8,10H2,1-2H3,(H2,17,18)
InChIKeyWWNDCMUYKNIHCS-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.81
Rot. Bonds4

About 1-[(2-bromo-5-methoxyphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide

1-[(2-bromo-5-methoxyphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide (PubChem CID 107161901) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is 1-[(2-bromo-5-methoxyphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-[(2-bromo-5-methoxyphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
PubChem CID107161901
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Name1-[(2-bromo-5-methoxyphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCOc1ccc(Br)c(CN2CCC(C)(/C(N)=N/O)CC2)c1
InChIInChI=1S/C15H22BrN3O2/c1-15(14(17)18-20)5-7-19(8-6-15)10-11-9-12(21-2)3-4-13(11)16/h3-4,9,20H,5-8,10H2,1-2H3,(H2,17,18)
InChIKeyWWNDCMUYKNIHCS-UHFFFAOYSA-N
XLogP2.81
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.81
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

2-[4-[(2-bromo-5-methoxyphenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77065238
1-[(2-bromo-5-methoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65323230
1-[(2-bromo-5-methoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115305379
1-[(2-bromo-5-methoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151916
1-[(3-bromo-4-fluorophenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161861
1-[(2-fluoro-3-methoxyphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161826
1-[(2-bromo-5-methoxyphenyl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide
CID 77065239
2-[4-[(2-bromo-5-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanol
CID 65327008
1-[(5-fluoro-2-methylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161911
2-(2-bromo-5-methoxyphenyl)-N'-hydroxyethanimidamide
CID 65323662
4-[(2-bromo-5-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine
CID 102745320
1-[(2-bromo-4-methoxyphenyl)methyl]pyrrolidine
CID 117220863

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide (CID 107161901) is 1-[(2-bromo-5-methoxyphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-[(2-bromo-5-methoxyphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-[(2-bromo-5-methoxyphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide is COc1ccc(Br)c(CN2CCC(C)(/C(N)=N/O)CC2)c1.
What is the InChIKey of 1-[(2-bromo-5-methoxyphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The InChIKey is WWNDCMUYKNIHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-15(14(17)18-20)5-7-19(8-6-15)10-11-9-12(21-2)3-4-13(11)16/h3-4,9,20H,5-8,10H2,1-2H3,(H2,17,18).
What are the key properties of 1-[(2-bromo-5-methoxyphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
1-[(2-bromo-5-methoxyphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide has a molecular weight of 356.26 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-methoxyphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107161901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).