1-[(4-ethylmorpholin-2-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide

C13H26N4O2 — CID 79171537

IUPAC1-[(4-ethylmorpholin-2-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide
SMILESCCN1CCOC(CN2CCCCC2C(N)=NO)C1
InChIInChI=1S/C13H26N4O2/c1-2-16-7-8-19-11(9-16)10-17-6-4-3-5-12(17)13(14)15-18/h11-12,18H,2-10H2,1H3,(H2,14,15)
InChIKeyLLDZQQPJJYKSNJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.31
Rot. Bonds4

About 1-[(4-ethylmorpholin-2-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide

1-[(4-ethylmorpholin-2-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide (PubChem CID 79171537) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[(4-ethylmorpholin-2-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide.

Molecular Properties

Compound Name1-[(4-ethylmorpholin-2-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide
PubChem CID79171537
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name1-[(4-ethylmorpholin-2-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide
SMILESCCN1CCOC(CN2CCCCC2C(N)=NO)C1
InChIInChI=1S/C13H26N4O2/c1-2-16-7-8-19-11(9-16)10-17-6-4-3-5-12(17)13(14)15-18/h11-12,18H,2-10H2,1H3,(H2,14,15)
InChIKeyLLDZQQPJJYKSNJ-UHFFFAOYSA-N
XLogP0.31
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-2-carboximidamide
CID 79171436
1-[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 79171854
N'-hydroxy-1-(2-morpholin-4-ylethyl)piperidine-2-carboximidamide
CID 77036137
1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-2-carbonitrile
CID 79165770
N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]piperidine-2-carboximidamide
CID 77057975
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbothioamide
CID 79172211
[4-[(4-ethylmorpholin-2-yl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81213819
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carboximidamide
CID 79171844
2,4-diethylmorpholine
CID 58988021
2-[(2-ethylmorpholin-4-yl)methyl]cyclohexan-1-amine
CID 62614413
1-(cyclopropylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036067
N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboximidamide
CID 77057970

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide?
The IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide (CID 79171537) is 1-[(4-ethylmorpholin-2-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide.
What is the SMILES notation for 1-[(4-ethylmorpholin-2-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide?
The canonical SMILES for 1-[(4-ethylmorpholin-2-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide is CCN1CCOC(CN2CCCCC2C(N)=NO)C1.
What is the InChIKey of 1-[(4-ethylmorpholin-2-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide?
The InChIKey is LLDZQQPJJYKSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-2-16-7-8-19-11(9-16)10-17-6-4-3-5-12(17)13(14)15-18/h11-12,18H,2-10H2,1H3,(H2,14,15).
What are the key properties of 1-[(4-ethylmorpholin-2-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide?
1-[(4-ethylmorpholin-2-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide has a molecular weight of 270.38 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylmorpholin-2-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide is sourced from PubChem (CID 79171537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).