[5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine

C12H17F3N2S — CID 107557056

IUPAC[5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
SMILESNCc1ccc(CN2CCCC(C(F)(F)F)C2)s1
InChIInChI=1S/C12H17F3N2S/c13-12(14,15)9-2-1-5-17(7-9)8-11-4-3-10(6-16)18-11/h3-4,9H,1-2,5-8,16H2
InChIKeyAILIILFTIRVYIM-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.98
Rot. Bonds3

About [5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine

[5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine (PubChem CID 107557056) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is [5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
PubChem CID107557056
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC Name[5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
SMILESNCc1ccc(CN2CCCC(C(F)(F)F)C2)s1
InChIInChI=1S/C12H17F3N2S/c13-12(14,15)9-2-1-5-17(7-9)8-11-4-3-10(6-16)18-11/h3-4,9H,1-2,5-8,16H2
InChIKeyAILIILFTIRVYIM-UHFFFAOYSA-N
XLogP2.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 107555522
(3R)-1-[[5-(aminomethyl)thiophen-2-yl]methyl]piperidin-3-ol
CID 167916543
(3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 97313441
[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methanamine
CID 107556033
(3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine
CID 51970058
3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 71901278
4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 112751279
2-fluoro-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]aniline
CID 107347469
[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiophen-2-yl]methanamine
CID 107556744
N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
CID 62575679
N-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine
CID 79233400
[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]methanamine
CID 107555516

Frequently Asked Questions

What is the IUPAC name of [5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine (CID 107557056) is [5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine is NCc1ccc(CN2CCCC(C(F)(F)F)C2)s1.
What is the InChIKey of [5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine?
The InChIKey is AILIILFTIRVYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c13-12(14,15)9-2-1-5-17(7-9)8-11-4-3-10(6-16)18-11/h3-4,9H,1-2,5-8,16H2.
What are the key properties of [5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine?
[5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine has a molecular weight of 278.34 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 107557056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).