2-methyl-N'-(4-piperidin-1-ylphenyl)propanimidamide

C15H23N3 — CID 63180778

IUPAC2-methyl-N'-(4-piperidin-1-ylphenyl)propanimidamide
SMILESCC(C)/C(N)=N\c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H23N3/c1-12(2)15(16)17-13-6-8-14(9-7-13)18-10-4-3-5-11-18/h6-9,12H,3-5,10-11H2,1-2H3,(H2,16,17)
InChIKeyTVALXLFZTOFKKR-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.32
Rot. Bonds3

About 2-methyl-N'-(4-piperidin-1-ylphenyl)propanimidamide

2-methyl-N'-(4-piperidin-1-ylphenyl)propanimidamide (PubChem CID 63180778) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-methyl-N'-(4-piperidin-1-ylphenyl)propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-(4-piperidin-1-ylphenyl)propanimidamide
PubChem CID63180778
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-methyl-N'-(4-piperidin-1-ylphenyl)propanimidamide
SMILESCC(C)/C(N)=N\c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H23N3/c1-12(2)15(16)17-13-6-8-14(9-7-13)18-10-4-3-5-11-18/h6-9,12H,3-5,10-11H2,1-2H3,(H2,16,17)
InChIKeyTVALXLFZTOFKKR-UHFFFAOYSA-N
XLogP3.32
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-methyl-N'-(4-piperidin-1-ylphenyl)propanimidamide 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 2-methyl-N'-(4-piperidin-1-ylphenyl)propanimidamide?
The IUPAC name of 2-methyl-N'-(4-piperidin-1-ylphenyl)propanimidamide (CID 63180778) is 2-methyl-N'-(4-piperidin-1-ylphenyl)propanimidamide.
What is the SMILES notation for 2-methyl-N'-(4-piperidin-1-ylphenyl)propanimidamide?
The canonical SMILES for 2-methyl-N'-(4-piperidin-1-ylphenyl)propanimidamide is CC(C)/C(N)=N\c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-methyl-N'-(4-piperidin-1-ylphenyl)propanimidamide?
The InChIKey is TVALXLFZTOFKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12(2)15(16)17-13-6-8-14(9-7-13)18-10-4-3-5-11-18/h6-9,12H,3-5,10-11H2,1-2H3,(H2,16,17).
What are the key properties of 2-methyl-N'-(4-piperidin-1-ylphenyl)propanimidamide?
2-methyl-N'-(4-piperidin-1-ylphenyl)propanimidamide has a molecular weight of 245.37 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(4-piperidin-1-ylphenyl)propanimidamide is sourced from PubChem (CID 63180778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).