N-(2,2-difluoroethyl)-1-ethyl-5-thiophen-2-ylpiperidin-3-amine

C13H20F2N2S — CID 83992794

IUPACN-(2,2-difluoroethyl)-1-ethyl-5-thiophen-2-ylpiperidin-3-amine
SMILESCCN1CC(NCC(F)F)CC(c2cccs2)C1
InChIInChI=1S/C13H20F2N2S/c1-2-17-8-10(12-4-3-5-18-12)6-11(9-17)16-7-13(14)15/h3-5,10-11,13,16H,2,6-9H2,1H3
InChIKeyJTSQYEVEIYKEEC-UHFFFAOYSA-N
MW274.38 g/mol
LogP2.78
Rot. Bonds5

About N-(2,2-difluoroethyl)-1-ethyl-5-thiophen-2-ylpiperidin-3-amine

N-(2,2-difluoroethyl)-1-ethyl-5-thiophen-2-ylpiperidin-3-amine (PubChem CID 83992794) has the molecular formula C13H20F2N2S and a molecular weight of 274.38 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-ethyl-5-thiophen-2-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-ethyl-5-thiophen-2-ylpiperidin-3-amine
PubChem CID83992794
Molecular FormulaC13H20F2N2S
Molecular Weight274.38 g/mol
Exact Mass274.13
IUPAC NameN-(2,2-difluoroethyl)-1-ethyl-5-thiophen-2-ylpiperidin-3-amine
SMILESCCN1CC(NCC(F)F)CC(c2cccs2)C1
InChIInChI=1S/C13H20F2N2S/c1-2-17-8-10(12-4-3-5-18-12)6-11(9-17)16-7-13(14)15/h3-5,10-11,13,16H,2,6-9H2,1H3
InChIKeyJTSQYEVEIYKEEC-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-(2,2-difluoroethyl)-5-thiophen-2-ylpiperidin-3-amine
CID 83993153
1-ethyl-N-methyl-5-thiophen-2-ylpiperidin-3-amine
CID 83989566
1-methyl-5-thiophen-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992062
N-(cyclohexylmethyl)-1-methyl-5-thiophen-2-ylpiperidin-3-amine
CID 83998289
N-(cyclohexylmethyl)-1-cyclopropyl-5-thiophen-2-ylpiperidin-3-amine
CID 83998686
1-ethyl-5-(3-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine
CID 83994200
N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)acetamide
CID 112541749
ethyl N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)carbamate
CID 112543760
methyl N-(1-cyclopropyl-5-thiophen-2-ylpiperidin-3-yl)carbamate
CID 112543340
1-benzhydryl-N-(2,2-difluoroethyl)azetidin-3-amine
CID 155893038
5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine
CID 83992822
N-(2,2-difluoroethyl)-1-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine
CID 83992767

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-ethyl-5-thiophen-2-ylpiperidin-3-amine?
The IUPAC name of N-(2,2-difluoroethyl)-1-ethyl-5-thiophen-2-ylpiperidin-3-amine (CID 83992794) is N-(2,2-difluoroethyl)-1-ethyl-5-thiophen-2-ylpiperidin-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-ethyl-5-thiophen-2-ylpiperidin-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-ethyl-5-thiophen-2-ylpiperidin-3-amine is CCN1CC(NCC(F)F)CC(c2cccs2)C1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-ethyl-5-thiophen-2-ylpiperidin-3-amine?
The InChIKey is JTSQYEVEIYKEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2S/c1-2-17-8-10(12-4-3-5-18-12)6-11(9-17)16-7-13(14)15/h3-5,10-11,13,16H,2,6-9H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-1-ethyl-5-thiophen-2-ylpiperidin-3-amine?
N-(2,2-difluoroethyl)-1-ethyl-5-thiophen-2-ylpiperidin-3-amine has a molecular weight of 274.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-ethyl-5-thiophen-2-ylpiperidin-3-amine is sourced from PubChem (CID 83992794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).