ethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate

C13H24F2N2O2 — CID 83993332

IUPACethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate
SMILESCCOC(=O)CN1CC(CC)CC(NCC(F)F)C1
InChIInChI=1S/C13H24F2N2O2/c1-3-10-5-11(16-6-12(14)15)8-17(7-10)9-13(18)19-4-2/h10-12,16H,3-9H2,1-2H3
InChIKeyHPDZOXCHZYORRO-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.50
Rot. Bonds7

About ethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate

ethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate (PubChem CID 83993332) has the molecular formula C13H24F2N2O2 and a molecular weight of 278.34 g/mol. Its IUPAC name is ethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate
PubChem CID83993332
Molecular FormulaC13H24F2N2O2
Molecular Weight278.34 g/mol
Exact Mass278.18
IUPAC Nameethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate
SMILESCCOC(=O)CN1CC(CC)CC(NCC(F)F)C1
InChIInChI=1S/C13H24F2N2O2/c1-3-10-5-11(16-6-12(14)15)8-17(7-10)9-13(18)19-4-2/h10-12,16H,3-9H2,1-2H3
InChIKeyHPDZOXCHZYORRO-UHFFFAOYSA-N
XLogP1.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(2,2-difluoroethylamino)-5-ethylpiperidine-1-carboxylate
CID 83992937
ethyl 2-[3-ethyl-5-(3-methylbutylamino)piperidin-1-yl]acetate
CID 83996099
ethyl 2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetate
CID 83991946
ethyl 2-[5-(2,2-difluoroethylamino)-1-methylpiperidin-3-yl]acetate
CID 83992762
2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide
CID 83993367
1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine
CID 83993289
methyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate
CID 83992834
ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544185
ethyl 2-(3-ethylpyrrolidin-1-yl)acetate
CID 115688617
2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid
CID 83996764
methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate
CID 83992828
methyl 5-(2,2-difluoroethylamino)-1-propanoylpiperidine-3-carboxylate
CID 83993008

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate (CID 83993332) is ethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate is CCOC(=O)CN1CC(CC)CC(NCC(F)F)C1.
What is the InChIKey of ethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate?
The InChIKey is HPDZOXCHZYORRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O2/c1-3-10-5-11(16-6-12(14)15)8-17(7-10)9-13(18)19-4-2/h10-12,16H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate?
ethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate has a molecular weight of 278.34 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate is sourced from PubChem (CID 83993332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).