2-chloro-N'-hydroxy-4-(2-piperidin-1-ylethoxy)benzenecarboximidamide

C14H20ClN3O2 — CID 76981662

IUPAC2-chloro-N'-hydroxy-4-(2-piperidin-1-ylethoxy)benzenecarboximidamide
SMILESNC(=NO)c1ccc(OCCN2CCCCC2)cc1Cl
InChIInChI=1S/C14H20ClN3O2/c15-13-10-11(4-5-12(13)14(16)17-19)20-9-8-18-6-2-1-3-7-18/h4-5,10,19H,1-3,6-9H2,(H2,16,17)
InChIKeyYORROIRTWWTOFX-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.30
Rot. Bonds5

About 2-chloro-N'-hydroxy-4-(2-piperidin-1-ylethoxy)benzenecarboximidamide

2-chloro-N'-hydroxy-4-(2-piperidin-1-ylethoxy)benzenecarboximidamide (PubChem CID 76981662) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-4-(2-piperidin-1-ylethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-4-(2-piperidin-1-ylethoxy)benzenecarboximidamide
PubChem CID76981662
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-chloro-N'-hydroxy-4-(2-piperidin-1-ylethoxy)benzenecarboximidamide
SMILESNC(=NO)c1ccc(OCCN2CCCCC2)cc1Cl
InChIInChI=1S/C14H20ClN3O2/c15-13-10-11(4-5-12(13)14(16)17-19)20-9-8-18-6-2-1-3-7-18/h4-5,10,19H,1-3,6-9H2,(H2,16,17)
InChIKeyYORROIRTWWTOFX-UHFFFAOYSA-N
XLogP2.30
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.30
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

4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61301567
2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910973
N'-hydroxy-5-(2-piperidin-1-ylethoxy)pyridine-2-carboximidamide
CID 136990863
2-bromo-4-(2-piperidin-1-ylethoxy)benzenecarbothioamide
CID 107278359
2-chloro-N'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzenecarboximidamide
CID 102724450
1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine
CID 82727267
2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide
CID 102724449
1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine
CID 2581947
N'-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-chloroethanimidamide
CID 169366049
2-bromo-4-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide
CID 107279595
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
N'-hydroxy-4-methyl-3-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide
CID 107912480

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-4-(2-piperidin-1-ylethoxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-4-(2-piperidin-1-ylethoxy)benzenecarboximidamide (CID 76981662) is 2-chloro-N'-hydroxy-4-(2-piperidin-1-ylethoxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-4-(2-piperidin-1-ylethoxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-4-(2-piperidin-1-ylethoxy)benzenecarboximidamide is NC(=NO)c1ccc(OCCN2CCCCC2)cc1Cl.
What is the InChIKey of 2-chloro-N'-hydroxy-4-(2-piperidin-1-ylethoxy)benzenecarboximidamide?
The InChIKey is YORROIRTWWTOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c15-13-10-11(4-5-12(13)14(16)17-19)20-9-8-18-6-2-1-3-7-18/h4-5,10,19H,1-3,6-9H2,(H2,16,17).
What are the key properties of 2-chloro-N'-hydroxy-4-(2-piperidin-1-ylethoxy)benzenecarboximidamide?
2-chloro-N'-hydroxy-4-(2-piperidin-1-ylethoxy)benzenecarboximidamide has a molecular weight of 297.79 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-4-(2-piperidin-1-ylethoxy)benzenecarboximidamide is sourced from PubChem (CID 76981662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).