4-methyl-2-(3-propoxypiperidin-1-yl)benzenecarboximidamide

C16H25N3O — CID 62306922

IUPAC4-methyl-2-(3-propoxypiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N1CCCC(OCCC)C1
InChIInChI=1S/C16H25N3O/c1-3-9-20-13-5-4-8-19(11-13)15-10-12(2)6-7-14(15)16(17)18/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H3,17,18)
InChIKeyOBIOSGFCKMOBDD-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.67
Rot. Bonds5

About 4-methyl-2-(3-propoxypiperidin-1-yl)benzenecarboximidamide

4-methyl-2-(3-propoxypiperidin-1-yl)benzenecarboximidamide (PubChem CID 62306922) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-methyl-2-(3-propoxypiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-methyl-2-(3-propoxypiperidin-1-yl)benzenecarboximidamide
PubChem CID62306922
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-methyl-2-(3-propoxypiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N1CCCC(OCCC)C1
InChIInChI=1S/C16H25N3O/c1-3-9-20-13-5-4-8-19(11-13)15-10-12(2)6-7-14(15)16(17)18/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H3,17,18)
InChIKeyOBIOSGFCKMOBDD-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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 4-methyl-2-(3-propoxypiperidin-1-yl)benzenecarboximidamide 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

3-bromo-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide
CID 82800266
2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide
CID 114017311
4-bromo-2-(3-propoxypiperidin-1-yl)benzenecarbothioamide
CID 114902998
4-methyl-2-(3-propoxypiperidin-1-yl)benzonitrile
CID 55056789
2-(azepan-1-yl)-4-methylbenzenecarboximidamide
CID 55057394
2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide
CID 63668655
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methylbenzenecarboximidamide
CID 113335752
2-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide
CID 114017272
2-(3-ethoxypiperidin-1-yl)-5-methylbenzenecarbothioamide
CID 107928760
4-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 103496232
3-(3-propoxypiperidin-1-yl)pyrazine-2-carboximidamide
CID 62684381
3-bromo-4-(3-ethoxypiperidin-1-yl)benzenecarboximidamide
CID 82798680

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-propoxypiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 4-methyl-2-(3-propoxypiperidin-1-yl)benzenecarboximidamide (CID 62306922) is 4-methyl-2-(3-propoxypiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 4-methyl-2-(3-propoxypiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 4-methyl-2-(3-propoxypiperidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1N1CCCC(OCCC)C1.
What is the InChIKey of 4-methyl-2-(3-propoxypiperidin-1-yl)benzenecarboximidamide?
The InChIKey is OBIOSGFCKMOBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-9-20-13-5-4-8-19(11-13)15-10-12(2)6-7-14(15)16(17)18/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H3,17,18).
What are the key properties of 4-methyl-2-(3-propoxypiperidin-1-yl)benzenecarboximidamide?
4-methyl-2-(3-propoxypiperidin-1-yl)benzenecarboximidamide has a molecular weight of 275.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-propoxypiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 62306922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).