1-(2,4-dimethoxyphenyl)sulfanylpiperazine

C12H18N2O2S — CID 117033871

IUPAC1-(2,4-dimethoxyphenyl)sulfanylpiperazine
SMILESCOc1ccc(SN2CCNCC2)c(OC)c1
InChIInChI=1S/C12H18N2O2S/c1-15-10-3-4-12(11(9-10)16-2)17-14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
InChIKeyRCGGOVCGBXAAQF-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.62
Rot. Bonds4

About 1-(2,4-dimethoxyphenyl)sulfanylpiperazine

1-(2,4-dimethoxyphenyl)sulfanylpiperazine (PubChem CID 117033871) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)sulfanylpiperazine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)sulfanylpiperazine
PubChem CID117033871
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-(2,4-dimethoxyphenyl)sulfanylpiperazine
SMILESCOc1ccc(SN2CCNCC2)c(OC)c1
InChIInChI=1S/C12H18N2O2S/c1-15-10-3-4-12(11(9-10)16-2)17-14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
InChIKeyRCGGOVCGBXAAQF-UHFFFAOYSA-N
XLogP1.62
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2,5-dimethoxyphenyl)sulfanylmethyl]piperazine
CID 117033913
1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274756
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171274106
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286734
1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine
CID 5234749
1-[(1S)-1-(2,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171287381
1-[(1S)-1-(2,4-dimethoxyphenyl)-3-methylbutyl]piperazine
CID 95493723
1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol
CID 82265663
1-[(R)-(2,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171287396
1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)methyl]piperazine
CID 3508845
1-[(1S)-1-(2,4-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171163322
1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3758150

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)sulfanylpiperazine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)sulfanylpiperazine (CID 117033871) is 1-(2,4-dimethoxyphenyl)sulfanylpiperazine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)sulfanylpiperazine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)sulfanylpiperazine is COc1ccc(SN2CCNCC2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)sulfanylpiperazine?
The InChIKey is RCGGOVCGBXAAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-15-10-3-4-12(11(9-10)16-2)17-14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)sulfanylpiperazine?
1-(2,4-dimethoxyphenyl)sulfanylpiperazine has a molecular weight of 254.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)sulfanylpiperazine is sourced from PubChem (CID 117033871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).