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

C12H21F3N2S2 — CID 115727276

IUPACN-(1,4-dithian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCC2CSCCS2)CC1
InChIInChI=1S/C12H21F3N2S2/c13-12(14,15)9-17-3-1-10(2-4-17)16-7-11-8-18-5-6-19-11/h10-11,16H,1-9H2
InChIKeyICNKGEKSKCQHEB-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.45
Rot. Bonds4

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

N-(1,4-dithian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 115727276) has the molecular formula C12H21F3N2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-(1,4-dithian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1,4-dithian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID115727276
Molecular FormulaC12H21F3N2S2
Molecular Weight314.44 g/mol
Exact Mass314.11
IUPAC NameN-(1,4-dithian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCC2CSCCS2)CC1
InChIInChI=1S/C12H21F3N2S2/c13-12(14,15)9-17-3-1-10(2-4-17)16-7-11-8-18-5-6-19-11/h10-11,16H,1-9H2
InChIKeyICNKGEKSKCQHEB-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(tetrahydro-2H-thiopyran-4-yl)piperidin-4-amine
CID 45791253
cis-(1S,6S)-6-(1-ethylpiperidin-4-yl)sulfanyl-2,2-difluorocyclohexan-1-amine
CID 156429579
cis-(1S,6S)-2,2-difluoro-6-(1-propan-2-ylpiperidin-4-yl)sulfanylcyclohexan-1-amine
CID 156745956
(4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine
CID 166682652
N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43778677
N-(1,1-dioxothian-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63922326
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
3-[2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]ethyl]thiomorpholine
CID 66419968
3,3,3-trifluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
CID 66420357
3,3,3-trifluoro-N-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
CID 66420561

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dithian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(1,4-dithian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 115727276) is N-(1,4-dithian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(1,4-dithian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(1,4-dithian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCC2CSCCS2)CC1.
What is the InChIKey of N-(1,4-dithian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is ICNKGEKSKCQHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2S2/c13-12(14,15)9-17-3-1-10(2-4-17)16-7-11-8-18-5-6-19-11/h10-11,16H,1-9H2.
What are the key properties of N-(1,4-dithian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(1,4-dithian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 314.44 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dithian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 115727276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).