4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzenecarboximidamide

C15H23N3 — CID 62123919

IUPAC4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCC(C)C2C)c(C)c1
InChIInChI=1S/C15H23N3/c1-10-5-4-8-18(12(10)3)14-7-6-13(15(16)17)9-11(14)2/h6-7,9-10,12H,4-5,8H2,1-3H3,(H3,16,17)
InChIKeyZREIFAVBNSDJRD-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.90
Rot. Bonds2

About 4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzenecarboximidamide

4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzenecarboximidamide (PubChem CID 62123919) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzenecarboximidamide
PubChem CID62123919
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCC(C)C2C)c(C)c1
InChIInChI=1S/C15H23N3/c1-10-5-4-8-18(12(10)3)14-7-6-13(15(16)17)9-11(14)2/h6-7,9-10,12H,4-5,8H2,1-3H3,(H3,16,17)
InChIKeyZREIFAVBNSDJRD-UHFFFAOYSA-N
XLogP2.90
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzenecarboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzenecarboximidamide?
The IUPAC name of 4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzenecarboximidamide (CID 62123919) is 4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCCC(C)C2C)c(C)c1.
What is the InChIKey of 4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzenecarboximidamide?
The InChIKey is ZREIFAVBNSDJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-10-5-4-8-18(12(10)3)14-7-6-13(15(16)17)9-11(14)2/h6-7,9-10,12H,4-5,8H2,1-3H3,(H3,16,17).
What are the key properties of 4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzenecarboximidamide?
4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzenecarboximidamide has a molecular weight of 245.37 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzenecarboximidamide is sourced from PubChem (CID 62123919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).