methyl 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate

C11H19F3N2O3 — CID 83992240

IUPACmethyl 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CC(NCC(F)(F)F)CC(C(C)O)C1
InChIInChI=1S/C11H19F3N2O3/c1-7(17)8-3-9(15-6-11(12,13)14)5-16(4-8)10(18)19-2/h7-9,15,17H,3-6H2,1-2H3
InChIKeyFXYZYIGRMPVTAY-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.98
Rot. Bonds3

About methyl 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate

methyl 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate (PubChem CID 83992240) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is methyl 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate
PubChem CID83992240
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Namemethyl 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CC(NCC(F)(F)F)CC(C(C)O)C1
InChIInChI=1S/C11H19F3N2O3/c1-7(17)8-3-9(15-6-11(12,13)14)5-16(4-8)10(18)19-2/h7-9,15,17H,3-6H2,1-2H3
InChIKeyFXYZYIGRMPVTAY-UHFFFAOYSA-N
XLogP0.98
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate?
The IUPAC name of methyl 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate (CID 83992240) is methyl 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate is COC(=O)N1CC(NCC(F)(F)F)CC(C(C)O)C1.
What is the InChIKey of methyl 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate?
The InChIKey is FXYZYIGRMPVTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-7(17)8-3-9(15-6-11(12,13)14)5-16(4-8)10(18)19-2/h7-9,15,17H,3-6H2,1-2H3.
What are the key properties of methyl 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate?
methyl 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate has a molecular weight of 284.28 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 83992240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).