1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carboximidamide

C13H26N4O — CID 79171844

IUPAC1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(CC2CN(CC)CCO2)CC1
InChIInChI=1S/C13H26N4O/c1-2-16-7-8-18-12(9-16)10-17-5-3-11(4-6-17)13(14)15/h11-12H,2-10H2,1H3,(H3,14,15)
InChIKeyKMUKEGZYQQRQMM-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.36
Rot. Bonds4

About 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carboximidamide

1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carboximidamide (PubChem CID 79171844) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carboximidamide.

Molecular Properties

Compound Name1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carboximidamide
PubChem CID79171844
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(CC2CN(CC)CCO2)CC1
InChIInChI=1S/C13H26N4O/c1-2-16-7-8-18-12(9-16)10-17-5-3-11(4-6-17)13(14)15/h11-12H,2-10H2,1H3,(H3,14,15)
InChIKeyKMUKEGZYQQRQMM-UHFFFAOYSA-N
XLogP0.36
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.36
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'}

Analyze 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbothioamide
CID 79172211
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
CID 79182828
2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]ethanamine
CID 79165951
2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine
CID 79182491
3-cyclopropyl-1-[(4-ethylmorpholin-2-yl)methyl]azetidin-3-amine
CID 79182409
3-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-amine
CID 81460895
[1-[(4-ethylmorpholin-2-yl)methyl]-4-methylpiperidin-4-yl]methanamine
CID 107160487
1-[(4-ethylmorpholin-2-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 79171537
2,4-diethylmorpholine
CID 58988021
3-[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 79171517
1-[(4-ethylmorpholin-2-yl)methyl]piperidin-2-imine
CID 114400417
(2S)-2-[(4-ethylpiperidin-1-yl)methyl]-4-propylmorpholine
CID 166536825

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carboximidamide?
The IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carboximidamide (CID 79171844) is 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carboximidamide.
What is the SMILES notation for 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carboximidamide?
The canonical SMILES for 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carboximidamide is [H]/N=C(\N)C1CCN(CC2CN(CC)CCO2)CC1.
What is the InChIKey of 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carboximidamide?
The InChIKey is KMUKEGZYQQRQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-2-16-7-8-18-12(9-16)10-17-5-3-11(4-6-17)13(14)15/h11-12H,2-10H2,1H3,(H3,14,15).
What are the key properties of 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carboximidamide?
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carboximidamide has a molecular weight of 254.38 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carboximidamide is sourced from PubChem (CID 79171844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).