1-piperidin-4-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine

C11H20F3N3O2S — CID 62970916

IUPAC1-piperidin-4-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine
SMILESO=S(=O)(C1CCNCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O2S/c12-11(13,14)9-16-5-7-17(8-6-16)20(18,19)10-1-3-15-4-2-10/h10,15H,1-9H2
InChIKeyAOBHGAVYNRACOB-UHFFFAOYSA-N
MW315.36 g/mol
LogP0.25
Rot. Bonds3

About 1-piperidin-4-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine

1-piperidin-4-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 62970916) has the molecular formula C11H20F3N3O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is 1-piperidin-4-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-piperidin-4-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID62970916
Molecular FormulaC11H20F3N3O2S
Molecular Weight315.36 g/mol
Exact Mass315.12
IUPAC Name1-piperidin-4-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine
SMILESO=S(=O)(C1CCNCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O2S/c12-11(13,14)9-16-5-7-17(8-6-16)20(18,19)10-1-3-15-4-2-10/h10,15H,1-9H2
InChIKeyAOBHGAVYNRACOB-UHFFFAOYSA-N
XLogP0.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-piperidin-4-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine (CID 62970916) is 1-piperidin-4-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-piperidin-4-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-piperidin-4-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine is O=S(=O)(C1CCNCC1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-piperidin-4-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is AOBHGAVYNRACOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2S/c12-11(13,14)9-16-5-7-17(8-6-16)20(18,19)10-1-3-15-4-2-10/h10,15H,1-9H2.
What are the key properties of 1-piperidin-4-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine?
1-piperidin-4-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 315.36 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 62970916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).