3-chloro-N'-hydroxy-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide

C15H22ClN3O — CID 114593469

IUPAC3-chloro-N'-hydroxy-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
SMILESCC1CC(C)C(C)N(c2ccc(/C(N)=N/O)cc2Cl)C1
InChIInChI=1S/C15H22ClN3O/c1-9-6-10(2)11(3)19(8-9)14-5-4-12(7-13(14)16)15(17)18-20/h4-5,7,9-11,20H,6,8H2,1-3H3,(H2,17,18)
InChIKeyODPCKXOSKXFQEN-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.31
Rot. Bonds2

About 3-chloro-N'-hydroxy-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide

3-chloro-N'-hydroxy-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide (PubChem CID 114593469) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
PubChem CID114593469
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name3-chloro-N'-hydroxy-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
SMILESCC1CC(C)C(C)N(c2ccc(/C(N)=N/O)cc2Cl)C1
InChIInChI=1S/C15H22ClN3O/c1-9-6-10(2)11(3)19(8-9)14-5-4-12(7-13(14)16)15(17)18-20/h4-5,7,9-11,20H,6,8H2,1-3H3,(H2,17,18)
InChIKeyODPCKXOSKXFQEN-UHFFFAOYSA-N
XLogP3.31
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.31
H-Bond Donors ≤ 52
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'}

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Related Compounds

3-chloro-4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxybenzenecarboximidamide
CID 77020681
N'-hydroxy-6-methyl-2-(2,3,5-trimethylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 136906945
2-chloro-5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114592004
3-iodo-4-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114591976
3-chloro-N'-hydroxy-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide
CID 102958284
3-chloro-N'-hydroxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 77048364
3-chloro-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76984457
3-chloro-4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxybenzenecarboximidamide
CID 77054310
3-chloro-N'-hydroxy-4-[3-(trifluoromethyl)piperidin-1-yl]benzenecarboximidamide
CID 77073276
5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114592015
3-chloro-4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76984366
5-chloro-2-(3,5-dimethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76944937

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide (CID 114593469) is 3-chloro-N'-hydroxy-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide is CC1CC(C)C(C)N(c2ccc(/C(N)=N/O)cc2Cl)C1.
What is the InChIKey of 3-chloro-N'-hydroxy-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide?
The InChIKey is ODPCKXOSKXFQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-9-6-10(2)11(3)19(8-9)14-5-4-12(7-13(14)16)15(17)18-20/h4-5,7,9-11,20H,6,8H2,1-3H3,(H2,17,18).
What are the key properties of 3-chloro-N'-hydroxy-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide?
3-chloro-N'-hydroxy-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide has a molecular weight of 295.81 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 114593469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).