1-[3-(4-fluorophenoxy)propylsulfonyl]-4-(3-methoxyphenyl)piperazine

C20H25FN2O4S — CID 16884382

IUPAC1-[3-(4-fluorophenoxy)propylsulfonyl]-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(S(=O)(=O)CCCOc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H25FN2O4S/c1-26-20-5-2-4-18(16-20)22-10-12-23(13-11-22)28(24,25)15-3-14-27-19-8-6-17(21)7-9-19/h2,4-9,16H,3,10-15H2,1H3
InChIKeyCAMCMJLPFINRTM-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.76
Rot. Bonds8

About 1-[3-(4-fluorophenoxy)propylsulfonyl]-4-(3-methoxyphenyl)piperazine

1-[3-(4-fluorophenoxy)propylsulfonyl]-4-(3-methoxyphenyl)piperazine (PubChem CID 16884382) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[3-(4-fluorophenoxy)propylsulfonyl]-4-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[3-(4-fluorophenoxy)propylsulfonyl]-4-(3-methoxyphenyl)piperazine
PubChem CID16884382
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC Name1-[3-(4-fluorophenoxy)propylsulfonyl]-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(S(=O)(=O)CCCOc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H25FN2O4S/c1-26-20-5-2-4-18(16-20)22-10-12-23(13-11-22)28(24,25)15-3-14-27-19-8-6-17(21)7-9-19/h2,4-9,16H,3,10-15H2,1H3
InChIKeyCAMCMJLPFINRTM-UHFFFAOYSA-N
XLogP2.76
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperazine
CID 90518310
1-(2,3-dichlorophenyl)-4-[3-(4-fluorophenoxy)propylsulfonyl]piperazine
CID 16884391
1-(3-chloropropylsulfonyl)-4-(4-methoxyphenyl)piperazine
CID 43654044
3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175212
1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3799087
1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3700743
3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8001578
2-(4-fluorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 38574818
2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 25285504
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-phenoxyacetamide
CID 42175822
1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine
CID 110299928

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenoxy)propylsulfonyl]-4-(3-methoxyphenyl)piperazine?
The IUPAC name of 1-[3-(4-fluorophenoxy)propylsulfonyl]-4-(3-methoxyphenyl)piperazine (CID 16884382) is 1-[3-(4-fluorophenoxy)propylsulfonyl]-4-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[3-(4-fluorophenoxy)propylsulfonyl]-4-(3-methoxyphenyl)piperazine?
The canonical SMILES for 1-[3-(4-fluorophenoxy)propylsulfonyl]-4-(3-methoxyphenyl)piperazine is COc1cccc(N2CCN(S(=O)(=O)CCCOc3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-[3-(4-fluorophenoxy)propylsulfonyl]-4-(3-methoxyphenyl)piperazine?
The InChIKey is CAMCMJLPFINRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c1-26-20-5-2-4-18(16-20)22-10-12-23(13-11-22)28(24,25)15-3-14-27-19-8-6-17(21)7-9-19/h2,4-9,16H,3,10-15H2,1H3.
What are the key properties of 1-[3-(4-fluorophenoxy)propylsulfonyl]-4-(3-methoxyphenyl)piperazine?
1-[3-(4-fluorophenoxy)propylsulfonyl]-4-(3-methoxyphenyl)piperazine has a molecular weight of 408.50 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenoxy)propylsulfonyl]-4-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 16884382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).