1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine

C22H30N2O4S — CID 55374342

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
SMILESCCCc1ccc(S(=O)(=O)N2CCN(Cc3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C22H30N2O4S/c1-4-5-18-6-9-20(10-7-18)29(25,26)24-14-12-23(13-15-24)17-19-8-11-21(27-2)22(16-19)28-3/h6-11,16H,4-5,12-15,17H2,1-3H3
InChIKeyHSTDSMSWEQJCFC-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.16
Rot. Bonds8

About 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine

1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine (PubChem CID 55374342) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
PubChem CID55374342
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
SMILESCCCc1ccc(S(=O)(=O)N2CCN(Cc3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C22H30N2O4S/c1-4-5-18-6-9-20(10-7-18)29(25,26)24-14-12-23(13-15-24)17-19-8-11-21(27-2)22(16-19)28-3/h6-11,16H,4-5,12-15,17H2,1-3H3
InChIKeyHSTDSMSWEQJCFC-UHFFFAOYSA-N
XLogP3.16
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 22207951
1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 17338184
1-[(3,4-dimethoxyphenyl)methyl]-4-propylsulfonylpiperazine
CID 770674
1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine
CID 1150334
1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1150416
1-[(3,4-dichlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane
CID 6734614
1-[(3,4-dimethoxyphenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-6,6-difluoro-1,4-diazepane
CID 143573169
1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 998107
1-(4-methylphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 1131702
1-benzyl-4-(4-propylphenyl)sulfonyl-1,4-diazepane
CID 3870068
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 43921213
3-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile
CID 9435691

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine (CID 55374342) is 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine is CCCc1ccc(S(=O)(=O)N2CCN(Cc3ccc(OC)c(OC)c3)CC2)cc1.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine?
The InChIKey is HSTDSMSWEQJCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-4-5-18-6-9-20(10-7-18)29(25,26)24-14-12-23(13-15-24)17-19-8-11-21(27-2)22(16-19)28-3/h6-11,16H,4-5,12-15,17H2,1-3H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine?
1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine has a molecular weight of 418.56 g/mol, XLogP of 3.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine is sourced from PubChem (CID 55374342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).