ethyl 3-(2,2-difluoroethylamino)-5-ethylpiperidine-1-carboxylate

C12H22F2N2O2 — CID 83992937

IUPACethyl 3-(2,2-difluoroethylamino)-5-ethylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CC(CC)CC(NCC(F)F)C1
InChIInChI=1S/C12H22F2N2O2/c1-3-9-5-10(15-6-11(13)14)8-16(7-9)12(17)18-4-2/h9-11,15H,3-8H2,1-2H3
InChIKeyVTZUBSKYLSPTRV-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.10
Rot. Bonds5

About ethyl 3-(2,2-difluoroethylamino)-5-ethylpiperidine-1-carboxylate

ethyl 3-(2,2-difluoroethylamino)-5-ethylpiperidine-1-carboxylate (PubChem CID 83992937) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 3-(2,2-difluoroethylamino)-5-ethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2,2-difluoroethylamino)-5-ethylpiperidine-1-carboxylate
PubChem CID83992937
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Nameethyl 3-(2,2-difluoroethylamino)-5-ethylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CC(CC)CC(NCC(F)F)C1
InChIInChI=1S/C12H22F2N2O2/c1-3-9-5-10(15-6-11(13)14)8-16(7-9)12(17)18-4-2/h9-11,15H,3-8H2,1-2H3
InChIKeyVTZUBSKYLSPTRV-UHFFFAOYSA-N
XLogP2.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate
CID 83993332
ethyl 3-ethyl-5-(methylamino)piperidine-1-carboxylate
CID 83989692
methyl 3-butyl-5-(2,2-difluoroethylamino)piperidine-1-carboxylate
CID 83992924
ethyl 2-[5-(2,2-difluoroethylamino)-1-methylpiperidin-3-yl]acetate
CID 83992762
1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine
CID 83993289
methyl 5-(2,2-difluoroethylamino)-1-propanoylpiperidine-3-carboxylate
CID 83993008
methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 83992933
methyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
CID 83992984
tert-butyl 3-ethyl-5-(3-methylbutylamino)piperidine-1-carboxylate
CID 83995714
2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide
CID 83993367
tert-butyl 3-(acetyloxymethyl)-5-(2-methylpropylamino)piperidine-1-carboxylate
CID 59625593
1-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one
CID 83992307

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,2-difluoroethylamino)-5-ethylpiperidine-1-carboxylate?
The IUPAC name of ethyl 3-(2,2-difluoroethylamino)-5-ethylpiperidine-1-carboxylate (CID 83992937) is ethyl 3-(2,2-difluoroethylamino)-5-ethylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-(2,2-difluoroethylamino)-5-ethylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 3-(2,2-difluoroethylamino)-5-ethylpiperidine-1-carboxylate is CCOC(=O)N1CC(CC)CC(NCC(F)F)C1.
What is the InChIKey of ethyl 3-(2,2-difluoroethylamino)-5-ethylpiperidine-1-carboxylate?
The InChIKey is VTZUBSKYLSPTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-3-9-5-10(15-6-11(13)14)8-16(7-9)12(17)18-4-2/h9-11,15H,3-8H2,1-2H3.
What are the key properties of ethyl 3-(2,2-difluoroethylamino)-5-ethylpiperidine-1-carboxylate?
ethyl 3-(2,2-difluoroethylamino)-5-ethylpiperidine-1-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,2-difluoroethylamino)-5-ethylpiperidine-1-carboxylate is sourced from PubChem (CID 83992937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).