1-cyclopentylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine

C18H27FN2O2S — CID 110616620

IUPAC1-cyclopentylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine
SMILESO=S(=O)(C1CCCC1)N1CCN(CCCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O2S/c19-17-9-7-16(8-10-17)4-3-11-20-12-14-21(15-13-20)24(22,23)18-5-1-2-6-18/h7-10,18H,1-6,11-15H2
InChIKeyHMRFLFHUKGEEJC-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.65
Rot. Bonds6

About 1-cyclopentylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine

1-cyclopentylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine (PubChem CID 110616620) has the molecular formula C18H27FN2O2S and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-cyclopentylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine.

Molecular Properties

Compound Name1-cyclopentylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine
PubChem CID110616620
Molecular FormulaC18H27FN2O2S
Molecular Weight354.49 g/mol
Exact Mass354.18
IUPAC Name1-cyclopentylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine
SMILESO=S(=O)(C1CCCC1)N1CCN(CCCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O2S/c19-17-9-7-16(8-10-17)4-3-11-20-12-14-21(15-13-20)24(22,23)18-5-1-2-6-18/h7-10,18H,1-6,11-15H2
InChIKeyHMRFLFHUKGEEJC-UHFFFAOYSA-N
XLogP2.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 165435705
1-benzylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine
CID 110413693
1-cyclopentylsulfonyl-4-[3-(2-methoxyphenyl)propyl]piperazine
CID 110356564
4-[3-(4-fluorophenyl)propyl]-N-propylpiperazine-1-sulfonamide
CID 110608688
1-[3-(4-fluorophenyl)propyl]piperidin-4-ol
CID 21180751
1-cyclopropylsulfonyl-4-(2-phenylethyl)-1,4-diazepane
CID 154853744
[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 70381756
1-cyclopentylsulfonyl-4-[2-(2-methoxyphenyl)ethyl]piperazine
CID 110411428
1-[3-(2-fluorophenyl)propyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 110602325
4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110413646
1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 55439469
4-[4-(4-fluorophenyl)butyl]piperazine-1-carbothioamide
CID 88622308

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine?
The IUPAC name of 1-cyclopentylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine (CID 110616620) is 1-cyclopentylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine.
What is the SMILES notation for 1-cyclopentylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine?
The canonical SMILES for 1-cyclopentylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine is O=S(=O)(C1CCCC1)N1CCN(CCCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-cyclopentylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine?
The InChIKey is HMRFLFHUKGEEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2S/c19-17-9-7-16(8-10-17)4-3-11-20-12-14-21(15-13-20)24(22,23)18-5-1-2-6-18/h7-10,18H,1-6,11-15H2.
What are the key properties of 1-cyclopentylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine?
1-cyclopentylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine has a molecular weight of 354.49 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine is sourced from PubChem (CID 110616620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).