N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C13H18ClF3N2S — CID 103779252

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCCc2ccc(Cl)s2)CC1
InChIInChI=1S/C13H18ClF3N2S/c14-12-2-1-11(20-12)3-6-18-10-4-7-19(8-5-10)9-13(15,16)17/h1-2,10,18H,3-9H2
InChIKeyCRIWPPSPKLOSEM-UHFFFAOYSA-N
MW326.82 g/mol
LogP3.56
Rot. Bonds5

About N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 103779252) has the molecular formula C13H18ClF3N2S and a molecular weight of 326.82 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID103779252
Molecular FormulaC13H18ClF3N2S
Molecular Weight326.82 g/mol
Exact Mass326.08
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCCc2ccc(Cl)s2)CC1
InChIInChI=1S/C13H18ClF3N2S/c14-12-2-1-11(20-12)3-6-18-10-4-7-19(8-5-10)9-13(15,16)17/h1-2,10,18H,3-9H2
InChIKeyCRIWPPSPKLOSEM-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine
CID 75428499
1-[(5-Chlorothiophen-2-yl)methyl]piperazine
CID 2455012
3-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide
CID 49072592
2-(5-Chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 43362657
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43438902
1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine
CID 43491985
1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43491992
1-(5-chlorothiophen-2-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43492088
1-(5-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
CID 43496952
N-[1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 43496959
1-(5-chlorothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 43497053
N-(2-thiophen-2-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43763641

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 103779252) is N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCCc2ccc(Cl)s2)CC1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is CRIWPPSPKLOSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF3N2S/c14-12-2-1-11(20-12)3-6-18-10-4-7-19(8-5-10)9-13(15,16)17/h1-2,10,18H,3-9H2.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 326.82 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 103779252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).