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

C13H23F3N2S — CID 115719866

IUPACN-(thian-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCC2CCSCC2)CC1
InChIInChI=1S/C13H23F3N2S/c14-13(15,16)10-18-5-1-12(2-6-18)17-9-11-3-7-19-8-4-11/h11-12,17H,1-10H2
InChIKeyROQHHIQKWFDVQX-UHFFFAOYSA-N
MW296.40 g/mol
LogP2.75
Rot. Bonds4

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

N-(thian-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 115719866) has the molecular formula C13H23F3N2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(thian-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(thian-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID115719866
Molecular FormulaC13H23F3N2S
Molecular Weight296.40 g/mol
Exact Mass296.15
IUPAC NameN-(thian-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCC2CCSCC2)CC1
InChIInChI=1S/C13H23F3N2S/c14-13(15,16)10-18-5-1-12(2-6-18)17-9-11-3-7-19-8-4-11/h11-12,17H,1-10H2
InChIKeyROQHHIQKWFDVQX-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

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Related Compounds

4-(2,2,2-Trifluoroethylsulfanylmethyl)piperidine
CID 66802879
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-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
3-[2-[3-(Trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine
CID 66420755
3-[2-[4-(Trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine
CID 66420756
3-[2-[4-(Trifluoromethyl)piperidin-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide
CID 80521193
N-(thiolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 80584187
N-(thian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 80599968
N-[(2-methylthiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 80722722
1-(4-Methylsulfanylpyrrolidin-3-yl)-4-(trifluoromethyl)piperidine
CID 82760338

Frequently Asked Questions

What is the IUPAC name of N-(thian-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(thian-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 115719866) is N-(thian-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(thian-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(thian-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCC2CCSCC2)CC1.
What is the InChIKey of N-(thian-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is ROQHHIQKWFDVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2S/c14-13(15,16)10-18-5-1-12(2-6-18)17-9-11-3-7-19-8-4-11/h11-12,17H,1-10H2.
What are the key properties of N-(thian-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(thian-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine 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 N-(thian-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 115719866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).