1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine

C25H28N2O — CID 3765974

IUPAC1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
SMILESCc1cccc(C(c2ccc(OCc3ccccc3)cc2)N2CCNCC2)c1
InChIInChI=1S/C25H28N2O/c1-20-6-5-9-23(18-20)25(27-16-14-26-15-17-27)22-10-12-24(13-11-22)28-19-21-7-3-2-4-8-21/h2-13,18,25-26H,14-17,19H2,1H3
InChIKeySPUZJSCYXNKPIY-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.57
Rot. Bonds6

About 1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine

1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine (PubChem CID 3765974) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
PubChem CID3765974
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
SMILESCc1cccc(C(c2ccc(OCc3ccccc3)cc2)N2CCNCC2)c1
InChIInChI=1S/C25H28N2O/c1-20-6-5-9-23(18-20)25(27-16-14-26-15-17-27)22-10-12-24(13-11-22)28-19-21-7-3-2-4-8-21/h2-13,18,25-26H,14-17,19H2,1H3
InChIKeySPUZJSCYXNKPIY-UHFFFAOYSA-N
XLogP4.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763712
1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine
CID 92754605
1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine
CID 4209262
1-[(4-bromophenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3759921
1-[(2,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3321312
1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763713
1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3779919
1-[(2,4-difluorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3766274
1-[(2-methylphenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3504190
1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171281105
1-[(2-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3704373
1-[(4-methylthiophen-2-yl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3747633

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine (CID 3765974) is 1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine is Cc1cccc(C(c2ccc(OCc3ccccc3)cc2)N2CCNCC2)c1.
What is the InChIKey of 1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine?
The InChIKey is SPUZJSCYXNKPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-20-6-5-9-23(18-20)25(27-16-14-26-15-17-27)22-10-12-24(13-11-22)28-19-21-7-3-2-4-8-21/h2-13,18,25-26H,14-17,19H2,1H3.
What are the key properties of 1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine?
1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine has a molecular weight of 372.51 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3765974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).