5-[(2-ethylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide

C16H25N3O — CID 65338983

IUPAC5-[(2-ethylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CN2CCCCC2CC)ccc1OC
InChIInChI=1S/C16H25N3O/c1-3-13-6-4-5-9-19(13)11-12-7-8-15(20-2)14(10-12)16(17)18/h7-8,10,13H,3-6,9,11H2,1-2H3,(H3,17,18)
InChIKeyXVRVQVUARCMYRR-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.74
Rot. Bonds5

About 5-[(2-ethylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide

5-[(2-ethylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide (PubChem CID 65338983) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-[(2-ethylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name5-[(2-ethylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
PubChem CID65338983
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-[(2-ethylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CN2CCCCC2CC)ccc1OC
InChIInChI=1S/C16H25N3O/c1-3-13-6-4-5-9-19(13)11-12-7-8-15(20-2)14(10-12)16(17)18/h7-8,10,13H,3-6,9,11H2,1-2H3,(H3,17,18)
InChIKeyXVRVQVUARCMYRR-UHFFFAOYSA-N
XLogP2.74
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.74
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'}

Analyze 5-[(2-ethylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide 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

5-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide
CID 65340327
5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide
CID 65338703
5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 83227573
4-[(2-ethylazepan-1-yl)methyl]-2-methoxybenzenecarbothioamide
CID 106788955
2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 83046047
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide
CID 106790819
1-[(3-bromo-4-methoxyphenyl)methyl]-2-ethylpyrrolidine
CID 54971394
5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 65338837
N'-hydroxy-2-methoxy-5-[(2-methylazepan-1-yl)methyl]benzenecarboximidamide
CID 77065911
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide
CID 65340377
2-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]azepane
CID 116638601
3-[(2-ethylazepan-1-yl)methyl]-2-fluorobenzenecarboximidamide
CID 107118005

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide?
The IUPAC name of 5-[(2-ethylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide (CID 65338983) is 5-[(2-ethylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 5-[(2-ethylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide?
The canonical SMILES for 5-[(2-ethylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide is [H]/N=C(\N)c1cc(CN2CCCCC2CC)ccc1OC.
What is the InChIKey of 5-[(2-ethylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide?
The InChIKey is XVRVQVUARCMYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-13-6-4-5-9-19(13)11-12-7-8-15(20-2)14(10-12)16(17)18/h7-8,10,13H,3-6,9,11H2,1-2H3,(H3,17,18).
What are the key properties of 5-[(2-ethylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide?
5-[(2-ethylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide has a molecular weight of 275.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 65338983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).