[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate

C11H19F3N2O2 — CID 156835214

IUPAC[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-8(15)10(17)18-6-9-2-4-16(5-3-9)7-11(12,13)14/h8-9H,2-7,15H2,1H3/t8-/m0/s1
InChIKeyKEWKOAQLYJKENI-QMMMGPOBSA-N
MW268.28 g/mol
LogP1.15
Rot. Bonds4

About [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate

[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate (PubChem CID 156835214) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate
PubChem CID156835214
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-8(15)10(17)18-6-9-2-4-16(5-3-9)7-11(12,13)14/h8-9H,2-7,15H2,1H3/t8-/m0/s1
InChIKeyKEWKOAQLYJKENI-QMMMGPOBSA-N
XLogP1.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate?
The IUPAC name of [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate (CID 156835214) is [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate.
What is the SMILES notation for [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate?
The canonical SMILES for [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate is C[C@H](N)C(=O)OCC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate?
The InChIKey is KEWKOAQLYJKENI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-8(15)10(17)18-6-9-2-4-16(5-3-9)7-11(12,13)14/h8-9H,2-7,15H2,1H3/t8-/m0/s1.
What are the key properties of [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate?
[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate has a molecular weight of 268.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate is sourced from PubChem (CID 156835214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).