3-chloro-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide

C14H20ClN3O — CID 76984457

IUPAC3-chloro-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCN(c2ccc(C(N)=NO)cc2Cl)C1
InChIInChI=1S/C14H20ClN3O/c1-2-10-4-3-7-18(9-10)13-6-5-11(8-12(13)15)14(16)17-19/h5-6,8,10,19H,2-4,7,9H2,1H3,(H2,16,17)
InChIKeyHJOABLBKZIZWOI-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.06
Rot. Bonds3

About 3-chloro-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide

3-chloro-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide (PubChem CID 76984457) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-chloro-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
PubChem CID76984457
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name3-chloro-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCN(c2ccc(C(N)=NO)cc2Cl)C1
InChIInChI=1S/C14H20ClN3O/c1-2-10-4-3-7-18(9-10)13-6-5-11(8-12(13)15)14(16)17-19/h5-6,8,10,19H,2-4,7,9H2,1H3,(H2,16,17)
InChIKeyHJOABLBKZIZWOI-UHFFFAOYSA-N
XLogP3.06
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.06
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-bromo-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82799177
5-chloro-2-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 55078907
3-chloro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide
CID 76984144
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-N'-hydroxy-4-[3-(trifluoromethyl)piperidin-1-yl]benzenecarboximidamide
CID 77073276
(1R)-1-[3-chloro-4-(3-ethylpiperidin-1-yl)phenyl]ethanol
CID 63370938
3-chloro-4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxybenzenecarboximidamide
CID 77020681
2-bromo-4-(3-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107535843
3-bromo-4-(3-ethylpiperidin-1-yl)benzenecarbothioamide
CID 82805181
3-bromo-4-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82799600
4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 61421396

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-chloro-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide (CID 76984457) is 3-chloro-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide is CCC1CCCN(c2ccc(C(N)=NO)cc2Cl)C1.
What is the InChIKey of 3-chloro-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is HJOABLBKZIZWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-10-4-3-7-18(9-10)13-6-5-11(8-12(13)15)14(16)17-19/h5-6,8,10,19H,2-4,7,9H2,1H3,(H2,16,17).
What are the key properties of 3-chloro-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide?
3-chloro-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 281.79 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76984457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).