methyl 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate

C12H21F3N2O2 — CID 43787216

IUPACmethyl 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-11(2,10(18)19-3)16-9-4-6-17(7-5-9)8-12(13,14)15/h9,16H,4-8H2,1-3H3
InChIKeyYBOGNDRHYUKIMJ-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.55
Rot. Bonds4

About methyl 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate

methyl 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate (PubChem CID 43787216) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is methyl 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate
PubChem CID43787216
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Namemethyl 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-11(2,10(18)19-3)16-9-4-6-17(7-5-9)8-12(13,14)15/h9,16H,4-8H2,1-3H3
InChIKeyYBOGNDRHYUKIMJ-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate with MolForge

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Related Compounds

Methyl 2-[methyl(piperidin-4-yl)amino]acetate dihydrochloride
CID 22378095
Ethyl 2-(4-aminopiperidin-1-yl)acetate; trifluoroacetic acid
CID 146049431
methyl 2-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
CID 164633061
Methyl 2-(4-aminopiperidin-1-yl)acetate
CID 11435206
N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 126511688
1-(2-methoxyethyl)-N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 146455412
ethyl 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]acetate
CID 153362138
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-amino-4-(3,3-difluoropiperidin-1-yl)butanoate
CID 175000792
1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 175208327
Methyl 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetate
CID 43756914

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate?
The IUPAC name of methyl 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate (CID 43787216) is methyl 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate is COC(=O)C(C)(C)NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of methyl 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate?
The InChIKey is YBOGNDRHYUKIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-11(2,10(18)19-3)16-9-4-6-17(7-5-9)8-12(13,14)15/h9,16H,4-8H2,1-3H3.
What are the key properties of methyl 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate?
methyl 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate has a molecular weight of 282.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate is sourced from PubChem (CID 43787216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).