1-(2-piperidin-3-ylpyrrolidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C13H21F3N2O2 — CID 103206915

IUPAC1-(2-piperidin-3-ylpyrrolidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)N1CCCC1C1CCCNC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)9-20-8-12(19)18-6-2-4-11(18)10-3-1-5-17-7-10/h10-11,17H,1-9H2
InChIKeyGHJDSWWIIGFUKX-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.56
Rot. Bonds4

About 1-(2-piperidin-3-ylpyrrolidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(2-piperidin-3-ylpyrrolidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103206915) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-(2-piperidin-3-ylpyrrolidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(2-piperidin-3-ylpyrrolidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103206915
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name1-(2-piperidin-3-ylpyrrolidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)N1CCCC1C1CCCNC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)9-20-8-12(19)18-6-2-4-11(18)10-3-1-5-17-7-10/h10-11,17H,1-9H2
InChIKeyGHJDSWWIIGFUKX-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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Related Compounds

[2-[Ethyl(1-piperidin-4-ylpropyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 137369411
1-(1,8-Diazaspiro[4.5]decan-8-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone
CID 169997128
3-Pyrrolidin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 61490626
3-[1-[2-(2,2,2-Trifluoroethoxy)ethyl]pyrrolidin-2-yl]piperidine
CID 66273222
2-ethoxy-N-[rel-(3R,4S)-4-isopropyl-1-(3,3,3-trifluoropropyl)-3-pyrrolidinyl]acetamide hydrochloride
CID 72898573
2-(2-aminoethoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 79472967
2-(2-aminoethoxy)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 79473742
2-(2-aminoethoxy)-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 79473922
1-(2-Cyclohexylpyrrolidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 87027020
1-[(2S)-2-cyclohexylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 99589529
1-[(2R)-2-cyclohexylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 99589530
2-ethoxy-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
CID 99791117

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-3-ylpyrrolidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(2-piperidin-3-ylpyrrolidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 103206915) is 1-(2-piperidin-3-ylpyrrolidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(2-piperidin-3-ylpyrrolidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(2-piperidin-3-ylpyrrolidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)N1CCCC1C1CCCNC1.
What is the InChIKey of 1-(2-piperidin-3-ylpyrrolidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is GHJDSWWIIGFUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)9-20-8-12(19)18-6-2-4-11(18)10-3-1-5-17-7-10/h10-11,17H,1-9H2.
What are the key properties of 1-(2-piperidin-3-ylpyrrolidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(2-piperidin-3-ylpyrrolidin-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-(2-piperidin-3-ylpyrrolidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103206915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).