1-[(2,4-dimethylphenyl)methyl]-4-phenylpiperazine

C19H24N2 — CID 792466

IUPAC1-[(2,4-dimethylphenyl)methyl]-4-phenylpiperazine
SMILESCc1ccc(CN2CCN(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C19H24N2/c1-16-8-9-18(17(2)14-16)15-20-10-12-21(13-11-20)19-6-4-3-5-7-19/h3-9,14H,10-13,15H2,1-2H3
InChIKeyUQWIMUDTSOPCAD-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.63
Rot. Bonds3

About 1-[(2,4-dimethylphenyl)methyl]-4-phenylpiperazine

1-[(2,4-dimethylphenyl)methyl]-4-phenylpiperazine (PubChem CID 792466) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)methyl]-4-phenylpiperazine
PubChem CID792466
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name1-[(2,4-dimethylphenyl)methyl]-4-phenylpiperazine
SMILESCc1ccc(CN2CCN(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C19H24N2/c1-16-8-9-18(17(2)14-16)15-20-10-12-21(13-11-20)19-6-4-3-5-7-19/h3-9,14H,10-13,15H2,1-2H3
InChIKeyUQWIMUDTSOPCAD-UHFFFAOYSA-N
XLogP3.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2,4-dimethylphenyl)methyl]-4-phenylpiperazine 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

Mianserin
CID 4184
Bamipine
CID 72075
Mianserin Hydrochloride
CID 68551
N,N,N',N'-Tetramethylbenzidine
CID 9702
Dibenzo(c,f)pyrazino(1,2-a)azepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, (14bS)-
CID 154315
Phenbenzamine
CID 13751
Phenbenzamine hydrochloride
CID 24180706
Piperazine, 1-phenethyl-4-phenyl-
CID 120540
Dibenzo(c,f)pyrazino(1,2-a)azepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, 2-oxide
CID 3085244
1-Benzyl-4-phenylpiperazine
CID 511484
4,4'-methylenebis[N,N-diethylaniline]
CID 67288
Desmethylmianserin
CID 115194

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-4-phenylpiperazine (CID 792466) is 1-[(2,4-dimethylphenyl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(2,4-dimethylphenyl)methyl]-4-phenylpiperazine is Cc1ccc(CN2CCN(c3ccccc3)CC2)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)methyl]-4-phenylpiperazine?
The InChIKey is UQWIMUDTSOPCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-16-8-9-18(17(2)14-16)15-20-10-12-21(13-11-20)19-6-4-3-5-7-19/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 1-[(2,4-dimethylphenyl)methyl]-4-phenylpiperazine?
1-[(2,4-dimethylphenyl)methyl]-4-phenylpiperazine has a molecular weight of 280.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 792466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).