2-piperidin-4-ylsulfanyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

C13H22F3N3OS — CID 114627266

IUPAC2-piperidin-4-ylsulfanyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESO=C(CSC1CCNCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H22F3N3OS/c14-13(15,16)10-18-5-7-19(8-6-18)12(20)9-21-11-1-3-17-4-2-11/h11,17H,1-10H2
InChIKeyZNIAHHVEPZVCSI-UHFFFAOYSA-N
MW325.40 g/mol
LogP1.18
Rot. Bonds4

About 2-piperidin-4-ylsulfanyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

2-piperidin-4-ylsulfanyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (PubChem CID 114627266) has the molecular formula C13H22F3N3OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 2-piperidin-4-ylsulfanyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-piperidin-4-ylsulfanyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
PubChem CID114627266
Molecular FormulaC13H22F3N3OS
Molecular Weight325.40 g/mol
Exact Mass325.14
IUPAC Name2-piperidin-4-ylsulfanyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESO=C(CSC1CCNCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H22F3N3OS/c14-13(15,16)10-18-5-7-19(8-6-18)12(20)9-21-11-1-3-17-4-2-11/h11,17H,1-10H2
InChIKeyZNIAHHVEPZVCSI-UHFFFAOYSA-N
XLogP1.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-piperidin-4-ylsulfanyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylsulfanyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-piperidin-4-ylsulfanyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (CID 114627266) is 2-piperidin-4-ylsulfanyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-piperidin-4-ylsulfanyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-piperidin-4-ylsulfanyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is O=C(CSC1CCNCC1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-piperidin-4-ylsulfanyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The InChIKey is ZNIAHHVEPZVCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3OS/c14-13(15,16)10-18-5-7-19(8-6-18)12(20)9-21-11-1-3-17-4-2-11/h11,17H,1-10H2.
What are the key properties of 2-piperidin-4-ylsulfanyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
2-piperidin-4-ylsulfanyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone has a molecular weight of 325.40 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylsulfanyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 114627266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).