1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine

C25H28N2O — CID 1376375

IUPAC1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
SMILESCc1ccccc1N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C25H28N2O/c1-21-7-5-6-10-25(21)27-17-15-26(16-18-27)19-22-11-13-24(14-12-22)28-20-23-8-3-2-4-9-23/h2-14H,15-20H2,1H3
InChIKeyFTHDQEJSUJXSSY-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.90
Rot. Bonds6

About 1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine

1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine (PubChem CID 1376375) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
PubChem CID1376375
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
SMILESCc1ccccc1N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C25H28N2O/c1-21-7-5-6-10-25(21)27-17-15-26(16-18-27)19-22-11-13-24(14-12-22)28-20-23-8-3-2-4-9-23/h2-14H,15-20H2,1H3
InChIKeyFTHDQEJSUJXSSY-UHFFFAOYSA-N
XLogP4.90
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine 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

1-(2,3-dimethylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 163328217
1-[(4-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine
CID 791315
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 785695
1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide
CID 142643740
1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)piperazine
CID 1377218
4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoic acid
CID 23964120
1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
CID 2846057
[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 59382130
1-[[2-[chloro(phenylmethoxy)methoxy]phenyl]methyl]-4-(2-methylphenyl)piperazine;hydrochloride
CID 139896933
5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole
CID 46923473
1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine
CID 763918

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine (CID 1376375) is 1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine is Cc1ccccc1N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine?
The InChIKey is FTHDQEJSUJXSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-21-7-5-6-10-25(21)27-17-15-26(16-18-27)19-22-11-13-24(14-12-22)28-20-23-8-3-2-4-9-23/h2-14H,15-20H2,1H3.
What are the key properties of 1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine?
1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine has a molecular weight of 372.51 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 1376375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).