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

C13H18BrF3N2S — CID 103778850

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCCc2ccc(Br)s2)CC1
InChIInChI=1S/C13H18BrF3N2S/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
InChIKeyFCSMODXPPYNCON-UHFFFAOYSA-N
MW371.27 g/mol
LogP3.67
Rot. Bonds5

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

N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 103778850) has the molecular formula C13H18BrF3N2S and a molecular weight of 371.27 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID103778850
Molecular FormulaC13H18BrF3N2S
Molecular Weight371.27 g/mol
Exact Mass370.03
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCCc2ccc(Br)s2)CC1
InChIInChI=1S/C13H18BrF3N2S/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
InChIKeyFCSMODXPPYNCON-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 103778850) is N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCCc2ccc(Br)s2)CC1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is FCSMODXPPYNCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrF3N2S/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-bromothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 371.27 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 103778850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).