1-[1-(4-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine

C16H24FN3O2S — CID 42950771

IUPAC1-[1-(4-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine
SMILESCC(c1ccc(F)cc1)N1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C16H24FN3O2S/c1-14(15-4-6-16(17)7-5-15)18-10-12-20(13-11-18)23(21,22)19-8-2-3-9-19/h4-7,14H,2-3,8-13H2,1H3
InChIKeyDAIZQPFSFWKSJA-UHFFFAOYSA-N
MW341.45 g/mol
LogP1.84
Rot. Bonds4

About 1-[1-(4-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine

1-[1-(4-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine (PubChem CID 42950771) has the molecular formula C16H24FN3O2S and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine
PubChem CID42950771
Molecular FormulaC16H24FN3O2S
Molecular Weight341.45 g/mol
Exact Mass341.16
IUPAC Name1-[1-(4-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine
SMILESCC(c1ccc(F)cc1)N1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C16H24FN3O2S/c1-14(15-4-6-16(17)7-5-15)18-10-12-20(13-11-18)23(21,22)19-8-2-3-9-19/h4-7,14H,2-3,8-13H2,1H3
InChIKeyDAIZQPFSFWKSJA-UHFFFAOYSA-N
XLogP1.84
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine
CID 174450752
1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine
CID 8771509
1-benzylsulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine
CID 8694227
1-[(1S)-1-(4-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
CID 8686758
4-[bis(4-fluorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 35315029
4-[1-(4-chlorophenyl)ethyl]piperazine-1-sulfonamide
CID 60560934
1-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine
CID 46100949
1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine
CID 22760403
1-(4-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
CID 107520960
1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 8747278
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 18169368
ethyl 5-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 60508886

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine (CID 42950771) is 1-[1-(4-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine is CC(c1ccc(F)cc1)N1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine?
The InChIKey is DAIZQPFSFWKSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2S/c1-14(15-4-6-16(17)7-5-15)18-10-12-20(13-11-18)23(21,22)19-8-2-3-9-19/h4-7,14H,2-3,8-13H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine?
1-[1-(4-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine has a molecular weight of 341.45 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine is sourced from PubChem (CID 42950771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).