1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethanamine

C14H21F3N2S — CID 62573499

IUPAC1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethanamine
SMILESCC(NCCN1CCCC(C(F)(F)F)C1)c1cccs1
InChIInChI=1S/C14H21F3N2S/c1-11(13-5-3-9-20-13)18-6-8-19-7-2-4-12(10-19)14(15,16)17/h3,5,9,11-12,18H,2,4,6-8,10H2,1H3
InChIKeyIHQNCQPARLCJQC-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.67
Rot. Bonds5

About 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethanamine

1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethanamine (PubChem CID 62573499) has the molecular formula C14H21F3N2S and a molecular weight of 306.40 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethanamine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethanamine
PubChem CID62573499
Molecular FormulaC14H21F3N2S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC Name1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethanamine
SMILESCC(NCCN1CCCC(C(F)(F)F)C1)c1cccs1
InChIInChI=1S/C14H21F3N2S/c1-11(13-5-3-9-20-13)18-6-8-19-7-2-4-12(10-19)14(15,16)17/h3,5,9,11-12,18H,2,4,6-8,10H2,1H3
InChIKeyIHQNCQPARLCJQC-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 ≤ 500306.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine
CID 62573860
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-1-thiophen-2-ylethanamine
CID 64581411
N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-thiophen-2-ylethanamine
CID 62561259
N-[2-(2-methylmorpholin-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 62576088
1-thiophen-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855966
2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]aniline
CID 62574960
2-methyl-N-(2-piperidin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine
CID 60697417
N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 102746104
(1S)-1-thiophen-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891288
1-thiophen-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 115710733
3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667
N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43768039

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethanamine?
The IUPAC name of 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethanamine (CID 62573499) is 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethanamine.
What is the SMILES notation for 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethanamine?
The canonical SMILES for 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethanamine is CC(NCCN1CCCC(C(F)(F)F)C1)c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethanamine?
The InChIKey is IHQNCQPARLCJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2S/c1-11(13-5-3-9-20-13)18-6-8-19-7-2-4-12(10-19)14(15,16)17/h3,5,9,11-12,18H,2,4,6-8,10H2,1H3.
What are the key properties of 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethanamine?
1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethanamine has a molecular weight of 306.40 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 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethanamine is sourced from PubChem (CID 62573499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).