1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine

C18H23N3 — CID 120768082

IUPAC1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine
SMILESCc1ccc(CN2CCNCC2c2cccnc2)c(C)c1
InChIInChI=1S/C18H23N3/c1-14-5-6-17(15(2)10-14)13-21-9-8-20-12-18(21)16-4-3-7-19-11-16/h3-7,10-11,18,20H,8-9,12-13H2,1-2H3
InChIKeyPYEOROYETJKWLR-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.84
Rot. Bonds3

About 1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine

1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine (PubChem CID 120768082) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine
PubChem CID120768082
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine
SMILESCc1ccc(CN2CCNCC2c2cccnc2)c(C)c1
InChIInChI=1S/C18H23N3/c1-14-5-6-17(15(2)10-14)13-21-9-8-20-12-18(21)16-4-3-7-19-11-16/h3-7,10-11,18,20H,8-9,12-13H2,1-2H3
InChIKeyPYEOROYETJKWLR-UHFFFAOYSA-N
XLogP2.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine 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

2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine
CID 120768364
1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120768241
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120754425
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094
1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120767890
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754788
1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120767678
5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride
CID 120754848
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768294

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine (CID 120768082) is 1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine is Cc1ccc(CN2CCNCC2c2cccnc2)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine?
The InChIKey is PYEOROYETJKWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-14-5-6-17(15(2)10-14)13-21-9-8-20-12-18(21)16-4-3-7-19-11-16/h3-7,10-11,18,20H,8-9,12-13H2,1-2H3.
What are the key properties of 1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine?
1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine has a molecular weight of 281.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120768082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).