5-chloro-2-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide

C14H20ClN3O — CID 76944687

IUPAC5-chloro-2-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCN(c2ccc(Cl)cc2C(N)=NO)CC1
InChIInChI=1S/C14H20ClN3O/c1-2-10-5-7-18(8-6-10)13-4-3-11(15)9-12(13)14(16)17-19/h3-4,9-10,19H,2,5-8H2,1H3,(H2,16,17)
InChIKeyDXWCNYCEINJBBQ-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.06
Rot. Bonds3

About 5-chloro-2-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide

5-chloro-2-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide (PubChem CID 76944687) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 5-chloro-2-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
PubChem CID76944687
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name5-chloro-2-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCN(c2ccc(Cl)cc2C(N)=NO)CC1
InChIInChI=1S/C14H20ClN3O/c1-2-10-5-7-18(8-6-10)13-4-3-11(15)9-12(13)14(16)17-19/h3-4,9-10,19H,2,5-8H2,1H3,(H2,16,17)
InChIKeyDXWCNYCEINJBBQ-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 5-chloro-2-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide (CID 76944687) is 5-chloro-2-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-chloro-2-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide is CCC1CCN(c2ccc(Cl)cc2C(N)=NO)CC1.
What is the InChIKey of 5-chloro-2-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is DXWCNYCEINJBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-10-5-7-18(8-6-10)13-4-3-11(15)9-12(13)14(16)17-19/h3-4,9-10,19H,2,5-8H2,1H3,(H2,16,17).
What are the key properties of 5-chloro-2-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide?
5-chloro-2-(4-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 5-chloro-2-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76944687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).