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

C10H17F3N2O2 — CID 166176346

IUPACmethyl 2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
SMILESCOC(=O)C(N)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-17-9(16)8(14)7-2-4-15(5-3-7)6-10(11,12)13/h7-8H,2-6,14H2,1H3
InChIKeyRPLOOOXMJYDEHC-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.76
Rot. Bonds3

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

methyl 2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate (PubChem CID 166176346) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is methyl 2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
PubChem CID166176346
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Namemethyl 2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
SMILESCOC(=O)C(N)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-17-9(16)8(14)7-2-4-15(5-3-7)6-10(11,12)13/h7-8H,2-6,14H2,1H3
InChIKeyRPLOOOXMJYDEHC-UHFFFAOYSA-N
XLogP0.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate
CID 43788499
methyl 2-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate
CID 55141166
(2R)-2-hydroxy-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
CID 129489847
methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 83983287
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine
CID 62593089
N-ethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 51077622
methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
CID 122164232
[1-(2,2,2-trifluoroethyl)piperidin-4-yl] (2S)-2-(methylamino)propanoate;dihydrochloride
CID 175306104
(2S)-2-amino-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanoic acid
CID 177277776
(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]propanoic acid
CID 165389159
methyl 2-amino-2-(1-methylsulfonylpiperidin-4-yl)acetate
CID 130277693
N-cyclopropyl-2-hydroxy-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
CID 154753718

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate?
The IUPAC name of methyl 2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate (CID 166176346) is methyl 2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate is COC(=O)C(N)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of methyl 2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate?
The InChIKey is RPLOOOXMJYDEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-17-9(16)8(14)7-2-4-15(5-3-7)6-10(11,12)13/h7-8H,2-6,14H2,1H3.
What are the key properties of methyl 2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate?
methyl 2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate has a molecular weight of 254.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate is sourced from PubChem (CID 166176346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).