3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C13H21F3N2O2 — CID 56792531

IUPAC3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C(N2CCCC(CCO)C2)CCN1CC(F)(F)F
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)9-18-6-3-11(12(18)20)17-5-1-2-10(8-17)4-7-19/h10-11,19H,1-9H2
InChIKeyCJJGWJOCNLQSCC-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.24
Rot. Bonds4

About 3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 56792531) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID56792531
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C(N2CCCC(CCO)C2)CCN1CC(F)(F)F
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)9-18-6-3-11(12(18)20)17-5-1-2-10(8-17)4-7-19/h10-11,19H,1-9H2
InChIKeyCJJGWJOCNLQSCC-UHFFFAOYSA-N
XLogP1.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 56792531) is 3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1C(N2CCCC(CCO)C2)CCN1CC(F)(F)F.
What is the InChIKey of 3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is CJJGWJOCNLQSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)9-18-6-3-11(12(18)20)17-5-1-2-10(8-17)4-7-19/h10-11,19H,1-9H2.
What are the key properties of 3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 294.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 56792531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).