3-methyl-1-[(3-methylphenyl)methyl]-3-phenylpiperazine

C19H24N2 — CID 64832083

IUPAC3-methyl-1-[(3-methylphenyl)methyl]-3-phenylpiperazine
SMILESCc1cccc(CN2CCNC(C)(c3ccccc3)C2)c1
InChIInChI=1S/C19H24N2/c1-16-7-6-8-17(13-16)14-21-12-11-20-19(2,15-21)18-9-4-3-5-10-18/h3-10,13,20H,11-12,14-15H2,1-2H3
InChIKeyDROAEGVHUOLGAG-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.32
Rot. Bonds3

About 3-methyl-1-[(3-methylphenyl)methyl]-3-phenylpiperazine

3-methyl-1-[(3-methylphenyl)methyl]-3-phenylpiperazine (PubChem CID 64832083) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-methyl-1-[(3-methylphenyl)methyl]-3-phenylpiperazine.

Molecular Properties

Compound Name3-methyl-1-[(3-methylphenyl)methyl]-3-phenylpiperazine
PubChem CID64832083
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name3-methyl-1-[(3-methylphenyl)methyl]-3-phenylpiperazine
SMILESCc1cccc(CN2CCNC(C)(c3ccccc3)C2)c1
InChIInChI=1S/C19H24N2/c1-16-7-6-8-17(13-16)14-21-12-11-20-19(2,15-21)18-9-4-3-5-10-18/h3-10,13,20H,11-12,14-15H2,1-2H3
InChIKeyDROAEGVHUOLGAG-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]-3-methyl-3-phenylpiperazine
CID 64832086
4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64831883
1-[(4-bromothiophen-2-yl)methyl]-3-methyl-3-phenylpiperazine
CID 64834481
1-(2,2-dimethylpropyl)-3-methyl-3-phenylpiperazine
CID 64925313
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
10-[(3-methylphenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64869306
5-[(3-methyl-3-phenylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644804
1-heptyl-3-methyl-3-phenylpiperazine
CID 64831697
3-methyl-1-[(3-methylcyclopentyl)methyl]-3-phenylpiperazine
CID 107415536
3-methyl-1-(4-methylpentyl)-3-phenylpiperazine
CID 64952596
3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperazine
CID 64831695
3-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64834386

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-methylphenyl)methyl]-3-phenylpiperazine?
The IUPAC name of 3-methyl-1-[(3-methylphenyl)methyl]-3-phenylpiperazine (CID 64832083) is 3-methyl-1-[(3-methylphenyl)methyl]-3-phenylpiperazine.
What is the SMILES notation for 3-methyl-1-[(3-methylphenyl)methyl]-3-phenylpiperazine?
The canonical SMILES for 3-methyl-1-[(3-methylphenyl)methyl]-3-phenylpiperazine is Cc1cccc(CN2CCNC(C)(c3ccccc3)C2)c1.
What is the InChIKey of 3-methyl-1-[(3-methylphenyl)methyl]-3-phenylpiperazine?
The InChIKey is DROAEGVHUOLGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-16-7-6-8-17(13-16)14-21-12-11-20-19(2,15-21)18-9-4-3-5-10-18/h3-10,13,20H,11-12,14-15H2,1-2H3.
What are the key properties of 3-methyl-1-[(3-methylphenyl)methyl]-3-phenylpiperazine?
3-methyl-1-[(3-methylphenyl)methyl]-3-phenylpiperazine has a molecular weight of 280.42 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 3-methyl-1-[(3-methylphenyl)methyl]-3-phenylpiperazine is sourced from PubChem (CID 64832083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).