N-(thiolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C12H21F3N2S — CID 80584187

IUPACN-(thiolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCC2CCCS2)CC1
InChIInChI=1S/C12H21F3N2S/c13-12(14,15)9-17-5-3-10(4-6-17)16-8-11-2-1-7-18-11/h10-11,16H,1-9H2
InChIKeyPFCAEYOOJZLLIX-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.50
Rot. Bonds4

About N-(thiolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(thiolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 80584187) has the molecular formula C12H21F3N2S and a molecular weight of 282.38 g/mol. Its IUPAC name is N-(thiolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(thiolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID80584187
Molecular FormulaC12H21F3N2S
Molecular Weight282.38 g/mol
Exact Mass282.14
IUPAC NameN-(thiolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCC2CCCS2)CC1
InChIInChI=1S/C12H21F3N2S/c13-12(14,15)9-17-5-3-10(4-6-17)16-8-11-2-1-7-18-11/h10-11,16H,1-9H2
InChIKeyPFCAEYOOJZLLIX-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(2,2-Difluoroethyl)piperidin-4-yl]amino]ethanethiol
CID 144503704
(4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine
CID 166682652
4,4,4-trifluoro-3-N-methyl-3-N-(thiolan-3-yl)butane-1,3-diamine
CID 43753139
4,4,4-Trifluoro-3-thiomorpholin-4-ylbutan-1-amine
CID 43753140
N-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43757115
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-4-amine
CID 54927241
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-3-amine
CID 62870916
N-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63980758
N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63981310
N-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63983391
N-(1,1-dioxothiolan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64852772
3,3,3-trifluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
CID 66420357

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(thiolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 80584187) is N-(thiolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(thiolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(thiolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCC2CCCS2)CC1.
What is the InChIKey of N-(thiolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is PFCAEYOOJZLLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2S/c13-12(14,15)9-17-5-3-10(4-6-17)16-8-11-2-1-7-18-11/h10-11,16H,1-9H2.
What are the key properties of N-(thiolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(thiolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 282.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 80584187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).