1-ethyl-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]sulfonylpiperazine

C17H26FN3O2S — CID 95724807

IUPAC1-ethyl-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]sulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)N2CCCC[C@H]2c2ccc(F)cc2)CC1
InChIInChI=1S/C17H26FN3O2S/c1-2-19-11-13-20(14-12-19)24(22,23)21-10-4-3-5-17(21)15-6-8-16(18)9-7-15/h6-9,17H,2-5,10-14H2,1H3/t17-/m0/s1
InChIKeyXVRJCHSKFRGVNU-KRWDZBQOSA-N
MW355.48 g/mol
LogP2.23
Rot. Bonds4

About 1-ethyl-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]sulfonylpiperazine

1-ethyl-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]sulfonylpiperazine (PubChem CID 95724807) has the molecular formula C17H26FN3O2S and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-ethyl-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]sulfonylpiperazine.

Molecular Properties

Compound Name1-ethyl-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]sulfonylpiperazine
PubChem CID95724807
Molecular FormulaC17H26FN3O2S
Molecular Weight355.48 g/mol
Exact Mass355.17
IUPAC Name1-ethyl-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]sulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)N2CCCC[C@H]2c2ccc(F)cc2)CC1
InChIInChI=1S/C17H26FN3O2S/c1-2-19-11-13-20(14-12-19)24(22,23)21-10-4-3-5-17(21)15-6-8-16(18)9-7-15/h6-9,17H,2-5,10-14H2,1H3/t17-/m0/s1
InChIKeyXVRJCHSKFRGVNU-KRWDZBQOSA-N
XLogP2.23
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylpiperidine
CID 134022396
(2R)-1-cyclopropylsulfonyl-2-(4-fluorophenyl)piperidine
CID 95724978
1-ethyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1,4-diazepane
CID 124736975
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylazepane
CID 31110887
N,N-dimethyl-1-[4-[(2R)-1-methylsulfonylpiperidin-2-yl]phenyl]methanamine
CID 95729302
(2S)-1-ethylsulfonyl-2-(3-fluorophenyl)azepane
CID 93072812
(2R)-1-ethylsulfonyl-2-(3-fluorophenyl)azepane
CID 93072811
4-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylmorpholine
CID 51335671
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
1-[4-[(2R)-1-cyclopropylsulfonylpiperidin-2-yl]phenyl]-N,N-dimethylmethanamine
CID 95728051
(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
CID 51856123

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]sulfonylpiperazine?
The IUPAC name of 1-ethyl-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]sulfonylpiperazine (CID 95724807) is 1-ethyl-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]sulfonylpiperazine.
What is the SMILES notation for 1-ethyl-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]sulfonylpiperazine?
The canonical SMILES for 1-ethyl-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]sulfonylpiperazine is CCN1CCN(S(=O)(=O)N2CCCC[C@H]2c2ccc(F)cc2)CC1.
What is the InChIKey of 1-ethyl-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]sulfonylpiperazine?
The InChIKey is XVRJCHSKFRGVNU-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26FN3O2S/c1-2-19-11-13-20(14-12-19)24(22,23)21-10-4-3-5-17(21)15-6-8-16(18)9-7-15/h6-9,17H,2-5,10-14H2,1H3/t17-/m0/s1.
What are the key properties of 1-ethyl-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]sulfonylpiperazine?
1-ethyl-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]sulfonylpiperazine has a molecular weight of 355.48 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]sulfonylpiperazine is sourced from PubChem (CID 95724807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).