1-(3-pyrrolidin-2-ylpiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C13H21F3N2O2 — CID 103832127

IUPAC1-(3-pyrrolidin-2-ylpiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)9-20-8-12(19)18-6-2-3-10(7-18)11-4-1-5-17-11/h10-11,17H,1-9H2
InChIKeyYRCDAGYRUWDPLT-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.56
Rot. Bonds4

About 1-(3-pyrrolidin-2-ylpiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(3-pyrrolidin-2-ylpiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103832127) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-(3-pyrrolidin-2-ylpiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(3-pyrrolidin-2-ylpiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103832127
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name1-(3-pyrrolidin-2-ylpiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)9-20-8-12(19)18-6-2-3-10(7-18)11-4-1-5-17-11/h10-11,17H,1-9H2
InChIKeyYRCDAGYRUWDPLT-UHFFFAOYSA-N
XLogP1.56
TPSA41.57 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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-2-ylpiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(3-pyrrolidin-2-ylpiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 103832127) is 1-(3-pyrrolidin-2-ylpiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(3-pyrrolidin-2-ylpiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(3-pyrrolidin-2-ylpiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)N1CCCC(C2CCCN2)C1.
What is the InChIKey of 1-(3-pyrrolidin-2-ylpiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is YRCDAGYRUWDPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)9-20-8-12(19)18-6-2-3-10(7-18)11-4-1-5-17-11/h10-11,17H,1-9H2.
What are the key properties of 1-(3-pyrrolidin-2-ylpiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(3-pyrrolidin-2-ylpiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 294.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-2-ylpiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103832127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).