1-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpiperazine

C10H18F3N3O2S — CID 61254377

IUPAC1-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpiperazine
SMILESO=S(=O)(N1CCNCC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H18F3N3O2S/c11-10(12,13)9-2-1-5-16(8-9)19(17,18)15-6-3-14-4-7-15/h9,14H,1-8H2
InChIKeyDWOPUPBCVYLIIT-UHFFFAOYSA-N
MW301.33 g/mol
LogP0.41
Rot. Bonds2

About 1-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpiperazine

1-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpiperazine (PubChem CID 61254377) has the molecular formula C10H18F3N3O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpiperazine
PubChem CID61254377
Molecular FormulaC10H18F3N3O2S
Molecular Weight301.33 g/mol
Exact Mass301.11
IUPAC Name1-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpiperazine
SMILESO=S(=O)(N1CCNCC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H18F3N3O2S/c11-10(12,13)9-2-1-5-16(8-9)19(17,18)15-6-3-14-4-7-15/h9,14H,1-8H2
InChIKeyDWOPUPBCVYLIIT-UHFFFAOYSA-N
XLogP0.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpiperazine?
The IUPAC name of 1-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpiperazine (CID 61254377) is 1-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpiperazine.
What is the SMILES notation for 1-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpiperazine?
The canonical SMILES for 1-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpiperazine is O=S(=O)(N1CCNCC1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpiperazine?
The InChIKey is DWOPUPBCVYLIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2S/c11-10(12,13)9-2-1-5-16(8-9)19(17,18)15-6-3-14-4-7-15/h9,14H,1-8H2.
What are the key properties of 1-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpiperazine?
1-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpiperazine has a molecular weight of 301.33 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpiperazine is sourced from PubChem (CID 61254377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).