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

C12H22F2N2O2 — CID 83993322

IUPACmethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate
SMILESCCC1CC(NCC(F)F)CN(CC(=O)OC)C1
InChIInChI=1S/C12H22F2N2O2/c1-3-9-4-10(15-5-11(13)14)7-16(6-9)8-12(17)18-2/h9-11,15H,3-8H2,1-2H3
InChIKeyFTPHOGUBYMGNMU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.11
Rot. Bonds6

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

methyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate (PubChem CID 83993322) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate
PubChem CID83993322
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Namemethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate
SMILESCCC1CC(NCC(F)F)CN(CC(=O)OC)C1
InChIInChI=1S/C12H22F2N2O2/c1-3-9-4-10(15-5-11(13)14)7-16(6-9)8-12(17)18-2/h9-11,15H,3-8H2,1-2H3
InChIKeyFTPHOGUBYMGNMU-UHFFFAOYSA-N
XLogP1.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(3-cyclopropylpiperazin-1-yl)acetate
CID 177798120
methyl 2-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
CID 164633061
1-morpholino-2-(S)-amino-4-methylpentane trifluoroacetate salt
CID 18649578
4-Methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid
CID 19107608
[(2S)-2-amino-4-methyl-1-morpholin-4-ylpentyl] 2,2,2-trifluoroacetate
CID 67625788
methyl N-[2-[2-methyl-4-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]carbamate
CID 170063513
Methyl 2-[4-[5-(2,2,2-trifluoroethylamino)pentyl]piperazin-1-yl]acetate
CID 173504410
Methyl 2-[2,6-dimethyl-4-[5-(2,2,2-trifluoroethylamino)pentyl]piperazin-1-yl]acetate
CID 173504414
Methyl 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetate
CID 43756914
methyl (2S)-3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butanoate
CID 43776159
Methyl 4-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate
CID 43782288
Methyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate
CID 43788499

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate?
The IUPAC name of methyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate (CID 83993322) is methyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate is CCC1CC(NCC(F)F)CN(CC(=O)OC)C1.
What is the InChIKey of methyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate?
The InChIKey is FTPHOGUBYMGNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-3-9-4-10(15-5-11(13)14)7-16(6-9)8-12(17)18-2/h9-11,15H,3-8H2,1-2H3.
What are the key properties of methyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate?
methyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate has a molecular weight of 264.32 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate is sourced from PubChem (CID 83993322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).