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

C10H17F3N2O2 — CID 43756914

IUPACmethyl 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetate
SMILESCOC(=O)CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-17-9(16)6-14-8-2-4-15(5-3-8)7-10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyAOTPOJBHQBFPOU-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.78
Rot. Bonds4

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

methyl 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetate (PubChem CID 43756914) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is methyl 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetate
PubChem CID43756914
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Namemethyl 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetate
SMILESCOC(=O)CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-17-9(16)6-14-8-2-4-15(5-3-8)7-10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyAOTPOJBHQBFPOU-UHFFFAOYSA-N
XLogP0.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetate?
The IUPAC name of methyl 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetate (CID 43756914) is methyl 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetate?
The canonical SMILES for methyl 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetate is COC(=O)CNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of methyl 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetate?
The InChIKey is AOTPOJBHQBFPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-17-9(16)6-14-8-2-4-15(5-3-8)7-10(11,12)13/h8,14H,2-7H2,1H3.
What are the key properties of methyl 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetate?
methyl 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetate has a molecular weight of 254.25 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetate is sourced from PubChem (CID 43756914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).