1-(2-piperidin-4-ylsulfanylethyl)-4-(trifluoromethyl)piperidine

C13H23F3N2S — CID 114628726

IUPAC1-(2-piperidin-4-ylsulfanylethyl)-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCN(CCSC2CCNCC2)CC1
InChIInChI=1S/C13H23F3N2S/c14-13(15,16)11-3-7-18(8-4-11)9-10-19-12-1-5-17-6-2-12/h11-12,17H,1-10H2
InChIKeyKGBCRTIJKFQJHU-UHFFFAOYSA-N
MW296.40 g/mol
LogP2.75
Rot. Bonds4

About 1-(2-piperidin-4-ylsulfanylethyl)-4-(trifluoromethyl)piperidine

1-(2-piperidin-4-ylsulfanylethyl)-4-(trifluoromethyl)piperidine (PubChem CID 114628726) has the molecular formula C13H23F3N2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-(2-piperidin-4-ylsulfanylethyl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(2-piperidin-4-ylsulfanylethyl)-4-(trifluoromethyl)piperidine
PubChem CID114628726
Molecular FormulaC13H23F3N2S
Molecular Weight296.40 g/mol
Exact Mass296.15
IUPAC Name1-(2-piperidin-4-ylsulfanylethyl)-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCN(CCSC2CCNCC2)CC1
InChIInChI=1S/C13H23F3N2S/c14-13(15,16)11-3-7-18(8-4-11)9-10-19-12-1-5-17-6-2-12/h11-12,17H,1-10H2
InChIKeyKGBCRTIJKFQJHU-UHFFFAOYSA-N
XLogP2.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-piperidin-4-ylsulfanylethyl)-4-(trifluoromethyl)piperidine with MolForge

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

Launch Full Analysis

Related Compounds

4-{[(2,2,2-Trifluoroethyl)sulfanyl]methyl}piperidine hydrochloride
CID 66802878
4-(2,2,2-Trifluoroethylsulfanylmethyl)piperidine
CID 66802879
2-[5-(Trifluoromethyl)piperidin-2-yl]sulfanylethanamine
CID 140479016
4-[3-Methyl-5-(trifluoromethyl)piperidin-2-yl]thiomorpholine
CID 142086138
4-Fluoro-4-methylsulfanyl-1-(3-piperidin-4-ylbutyl)piperidine
CID 170615892
3-[2-[3-(Trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine
CID 66420755
3-[2-[4-(Trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine
CID 66420756
3-[[3-(Trifluoromethyl)piperidin-1-yl]methyl]thiomorpholine
CID 82916519
3-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]thiomorpholine
CID 82916698
2,2,2-trifluoro-N-[2-(thian-4-yl)ethyl]ethanamine
CID 83145591
2,2-difluoro-N-[2-(thian-4-yl)ethyl]ethanamine
CID 83145780
4-Fluoro-4-(thian-4-yl)piperidine
CID 83819654

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-4-ylsulfanylethyl)-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(2-piperidin-4-ylsulfanylethyl)-4-(trifluoromethyl)piperidine (CID 114628726) is 1-(2-piperidin-4-ylsulfanylethyl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(2-piperidin-4-ylsulfanylethyl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(2-piperidin-4-ylsulfanylethyl)-4-(trifluoromethyl)piperidine is FC(F)(F)C1CCN(CCSC2CCNCC2)CC1.
What is the InChIKey of 1-(2-piperidin-4-ylsulfanylethyl)-4-(trifluoromethyl)piperidine?
The InChIKey is KGBCRTIJKFQJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2S/c14-13(15,16)11-3-7-18(8-4-11)9-10-19-12-1-5-17-6-2-12/h11-12,17H,1-10H2.
What are the key properties of 1-(2-piperidin-4-ylsulfanylethyl)-4-(trifluoromethyl)piperidine?
1-(2-piperidin-4-ylsulfanylethyl)-4-(trifluoromethyl)piperidine has a molecular weight of 296.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-4-ylsulfanylethyl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 114628726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).