1,4-bis[2-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropyl]piperazine

C28H42N2O2S2 — CID 15719169

IUPAC1,4-bis[2-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropyl]piperazine
SMILESCOc1ccc(CSC(C)(C)CN2CCN(CC(C)(C)SCc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C28H42N2O2S2/c1-27(2,33-19-23-7-11-25(31-5)12-8-23)21-29-15-17-30(18-16-29)22-28(3,4)34-20-24-9-13-26(32-6)14-10-24/h7-14H,15-22H2,1-6H3
InChIKeyNADWYIQQUACBIY-UHFFFAOYSA-N
MW502.79 g/mol
LogP6.05
Rot. Bonds12

About 1,4-bis[2-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropyl]piperazine

1,4-bis[2-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropyl]piperazine (PubChem CID 15719169) has the molecular formula C28H42N2O2S2 and a molecular weight of 502.79 g/mol. Its IUPAC name is 1,4-bis[2-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropyl]piperazine.

Molecular Properties

Compound Name1,4-bis[2-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropyl]piperazine
PubChem CID15719169
Molecular FormulaC28H42N2O2S2
Molecular Weight502.79 g/mol
Exact Mass502.27
IUPAC Name1,4-bis[2-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropyl]piperazine
SMILESCOc1ccc(CSC(C)(C)CN2CCN(CC(C)(C)SCc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C28H42N2O2S2/c1-27(2,33-19-23-7-11-25(31-5)12-8-23)21-29-15-17-30(18-16-29)22-28(3,4)34-20-24-9-13-26(32-6)14-10-24/h7-14H,15-22H2,1-6H3
InChIKeyNADWYIQQUACBIY-UHFFFAOYSA-N
XLogP6.05
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.79
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,4-bis[2-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropyl]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

3-[(4-methoxyphenyl)methylsulfanyl]-3-methylbutanal
CID 10082931
1-[2-[(4-methoxyphenyl)methylsulfanyl]propan-2-yl]piperazine
CID 162497394
2-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropanoyl chloride
CID 21470441
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropanenitrile
CID 60702946
1-(azepan-1-yl)-2-(4-methoxyphenyl)propan-2-amine
CID 43829903
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2,3-dimethylbutan-2-ol
CID 114447501
3-[(4-methoxyphenyl)methylsulfanyl]-3-phenylbutanoic acid
CID 70059462
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-2-ol
CID 82045025
3-[(4-methoxyphenyl)methylsulfanyl]-1-azabicyclo[2.2.2]octane
CID 19797265
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene
CID 59882027

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropyl]piperazine?
The IUPAC name of 1,4-bis[2-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropyl]piperazine (CID 15719169) is 1,4-bis[2-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropyl]piperazine.
What is the SMILES notation for 1,4-bis[2-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropyl]piperazine?
The canonical SMILES for 1,4-bis[2-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropyl]piperazine is COc1ccc(CSC(C)(C)CN2CCN(CC(C)(C)SCc3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 1,4-bis[2-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropyl]piperazine?
The InChIKey is NADWYIQQUACBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2O2S2/c1-27(2,33-19-23-7-11-25(31-5)12-8-23)21-29-15-17-30(18-16-29)22-28(3,4)34-20-24-9-13-26(32-6)14-10-24/h7-14H,15-22H2,1-6H3.
What are the key properties of 1,4-bis[2-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropyl]piperazine?
1,4-bis[2-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropyl]piperazine has a molecular weight of 502.79 g/mol, XLogP of 6.05, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropyl]piperazine is sourced from PubChem (CID 15719169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).