2-(4-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine

C12H16BrF3N2S — CID 60917876

IUPAC2-(4-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
SMILESNCC(c1cc(Br)cs1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H16BrF3N2S/c13-9-4-11(19-7-9)10(5-17)18-3-1-2-8(6-18)12(14,15)16/h4,7-8,10H,1-3,5-6,17H2
InChIKeyUKYRJIPKWCYPAN-UHFFFAOYSA-N
MW357.24 g/mol
LogP3.78
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine

2-(4-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine (PubChem CID 60917876) has the molecular formula C12H16BrF3N2S and a molecular weight of 357.24 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
PubChem CID60917876
Molecular FormulaC12H16BrF3N2S
Molecular Weight357.24 g/mol
Exact Mass356.02
IUPAC Name2-(4-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
SMILESNCC(c1cc(Br)cs1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H16BrF3N2S/c13-9-4-11(19-7-9)10(5-17)18-3-1-2-8(6-18)12(14,15)16/h4,7-8,10H,1-3,5-6,17H2
InChIKeyUKYRJIPKWCYPAN-UHFFFAOYSA-N
XLogP3.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Methylpiperidin-1-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 4352910
Cambridge id 5264572
CID 764145
1-[(4-Bromo-5-propan-2-ylthiophen-2-yl)methyl]-3,3-difluoropiperidine
CID 58115729
1-[(4-Bromo-5-methylthiophen-2-yl)methyl]-3,3-difluoropiperidine;ethane
CID 143819366
1-(4-bromothiophen-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 43123664
2-(5-Bromothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 43173294
2-Thiophen-2-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 43173301
2-(4-Bromothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 43362661
2-(3-Methylthiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 43362692
N-[(5-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434414
N-[(4-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434416
N-[(5-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434503

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine (CID 60917876) is 2-(4-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine is NCC(c1cc(Br)cs1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The InChIKey is UKYRJIPKWCYPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF3N2S/c13-9-4-11(19-7-9)10(5-17)18-3-1-2-8(6-18)12(14,15)16/h4,7-8,10H,1-3,5-6,17H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
2-(4-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine has a molecular weight of 357.24 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 60917876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).