4-[2-(2-ethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide

C16H25N3O2 — CID 61299833

IUPAC4-[2-(2-ethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCCN1CCOc1ccc(C(N)=NO)cc1
InChIInChI=1S/C16H25N3O2/c1-2-14-5-3-4-10-19(14)11-12-21-15-8-6-13(7-9-15)16(17)18-20/h6-9,14,20H,2-5,10-12H2,1H3,(H2,17,18)
InChIKeyMFDXEAUQZLQPQR-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.42
Rot. Bonds6

About 4-[2-(2-ethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide

4-[2-(2-ethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 61299833) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[2-(2-ethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(2-ethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID61299833
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-[2-(2-ethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCCN1CCOc1ccc(C(N)=NO)cc1
InChIInChI=1S/C16H25N3O2/c1-2-14-5-3-4-10-19(14)11-12-21-15-8-6-13(7-9-15)16(17)18-20/h6-9,14,20H,2-5,10-12H2,1H3,(H2,17,18)
InChIKeyMFDXEAUQZLQPQR-UHFFFAOYSA-N
XLogP2.42
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.42
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-(2-ethylazepan-1-yl)ethoxy]benzonitrile
CID 115642546
4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61301567
2-[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl]acetic acid
CID 63068600
4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 104967571
4-[2-[2-(hydroxymethyl)piperidin-1-yl]ethoxy]benzenecarbothioamide
CID 61407004
[1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol
CID 60684684
4-[2-(3,4-dihydroxypyrrolidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 106669736
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate
CID 142996981
4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299834
3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol
CID 82073755
4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299047

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[2-(2-ethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide (CID 61299833) is 4-[2-(2-ethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[2-(2-ethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[2-(2-ethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide is CCC1CCCCN1CCOc1ccc(C(N)=NO)cc1.
What is the InChIKey of 4-[2-(2-ethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is MFDXEAUQZLQPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-14-5-3-4-10-19(14)11-12-21-15-8-6-13(7-9-15)16(17)18-20/h6-9,14,20H,2-5,10-12H2,1H3,(H2,17,18).
What are the key properties of 4-[2-(2-ethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide?
4-[2-(2-ethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 291.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 61299833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).