4-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxypiperidine

C11H19F3N2O — CID 117046296

IUPAC4-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxypiperidine
SMILESFC(F)(F)CN1CCC(OC2CCNCC2)C1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8-16-6-3-10(7-16)17-9-1-4-15-5-2-9/h9-10,15H,1-8H2
InChIKeyGEUMDBCJVNCQFI-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.39
Rot. Bonds3

About 4-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxypiperidine

4-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxypiperidine (PubChem CID 117046296) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxypiperidine.

Molecular Properties

Compound Name4-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxypiperidine
PubChem CID117046296
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name4-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxypiperidine
SMILESFC(F)(F)CN1CCC(OC2CCNCC2)C1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8-16-6-3-10(7-16)17-9-1-4-15-5-2-9/h9-10,15H,1-8H2
InChIKeyGEUMDBCJVNCQFI-UHFFFAOYSA-N
XLogP1.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxypiperidine?
The IUPAC name of 4-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxypiperidine (CID 117046296) is 4-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxypiperidine.
What is the SMILES notation for 4-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxypiperidine?
The canonical SMILES for 4-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxypiperidine is FC(F)(F)CN1CCC(OC2CCNCC2)C1.
What is the InChIKey of 4-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxypiperidine?
The InChIKey is GEUMDBCJVNCQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)8-16-6-3-10(7-16)17-9-1-4-15-5-2-9/h9-10,15H,1-8H2.
What are the key properties of 4-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxypiperidine?
4-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxypiperidine has a molecular weight of 252.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxypiperidine is sourced from PubChem (CID 117046296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).