1-methyl-5-thiophen-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine

C12H17F3N2S — CID 83992062

IUPAC1-methyl-5-thiophen-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCN1CC(NCC(F)(F)F)CC(c2cccs2)C1
InChIInChI=1S/C12H17F3N2S/c1-17-6-9(11-3-2-4-18-11)5-10(7-17)16-8-12(13,14)15/h2-4,9-10,16H,5-8H2,1H3
InChIKeySYUDBKSOSQHBFD-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.69
Rot. Bonds3

About 1-methyl-5-thiophen-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine

1-methyl-5-thiophen-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine (PubChem CID 83992062) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-methyl-5-thiophen-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-5-thiophen-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
PubChem CID83992062
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC Name1-methyl-5-thiophen-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCN1CC(NCC(F)(F)F)CC(c2cccs2)C1
InChIInChI=1S/C12H17F3N2S/c1-17-6-9(11-3-2-4-18-11)5-10(7-17)16-8-12(13,14)15/h2-4,9-10,16H,5-8H2,1H3
InChIKeySYUDBKSOSQHBFD-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-1-methyl-5-thiophen-2-ylpiperidin-3-amine
CID 83998289
1-methyl-5-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992089
tert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate
CID 112544264
1-ethyl-N-methyl-5-thiophen-2-ylpiperidin-3-amine
CID 83989566
N-(2,2-difluoroethyl)-1-ethyl-5-thiophen-2-ylpiperidin-3-amine
CID 83992794
1-cyclopropyl-N-(2,2-difluoroethyl)-5-thiophen-2-ylpiperidin-3-amine
CID 83993153
5-(2,2-dimethylpropyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992057
N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)acetamide
CID 112541749
N-(cyclohexylmethyl)-1-cyclopropyl-5-thiophen-2-ylpiperidin-3-amine
CID 83998686
3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992073
ethyl N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)carbamate
CID 112543760
(3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 162433689

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-thiophen-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The IUPAC name of 1-methyl-5-thiophen-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine (CID 83992062) is 1-methyl-5-thiophen-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine.
What is the SMILES notation for 1-methyl-5-thiophen-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The canonical SMILES for 1-methyl-5-thiophen-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine is CN1CC(NCC(F)(F)F)CC(c2cccs2)C1.
What is the InChIKey of 1-methyl-5-thiophen-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The InChIKey is SYUDBKSOSQHBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c1-17-6-9(11-3-2-4-18-11)5-10(7-17)16-8-12(13,14)15/h2-4,9-10,16H,5-8H2,1H3.
What are the key properties of 1-methyl-5-thiophen-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
1-methyl-5-thiophen-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine has a molecular weight of 278.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-thiophen-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine is sourced from PubChem (CID 83992062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).