1-piperidin-1-yl-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone

C13H21F3N2O2 — CID 124554794

IUPAC1-piperidin-1-yl-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone
SMILESO=C(CN1CCC[C@H]1[C@H](O)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)12(20)10-5-4-8-18(10)9-11(19)17-6-2-1-3-7-17/h10,12,20H,1-9H2/t10-,12-/m0/s1
InChIKeyNPUFNVJWFSXLCN-JQWIXIFHSA-N
MW294.32 g/mol
LogP1.39
Rot. Bonds3

About 1-piperidin-1-yl-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone

1-piperidin-1-yl-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone (PubChem CID 124554794) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone
PubChem CID124554794
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name1-piperidin-1-yl-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone
SMILESO=C(CN1CCC[C@H]1[C@H](O)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)12(20)10-5-4-8-18(10)9-11(19)17-6-2-1-3-7-17/h10,12,20H,1-9H2/t10-,12-/m0/s1
InChIKeyNPUFNVJWFSXLCN-JQWIXIFHSA-N
XLogP1.39
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-piperidin-1-yl-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

(1R)-2,2,2-trifluoro-1-[(2R)-1-prop-2-ynylpyrrolidin-2-yl]ethanol
CID 100847822
(2S)-1-[2-(azepan-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910511
1-(azepan-1-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62013945
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119926984
1-[2-(azocan-1-yl)-2-oxoethyl]azepane-2-carboxylic acid
CID 64564718
2,2-dimethyl-5-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile
CID 75423749
1-(4-acetylpiperazin-1-yl)-2-[2-(1-aminoethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119911425
N-(2-benzylphenyl)-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]acetamide
CID 100880959
2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid
CID 54899772
2-[2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 95621723
2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 111107052
2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-2-yl]ethanol
CID 120849117

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone (CID 124554794) is 1-piperidin-1-yl-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone is O=C(CN1CCC[C@H]1[C@H](O)C(F)(F)F)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone?
The InChIKey is NPUFNVJWFSXLCN-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)12(20)10-5-4-8-18(10)9-11(19)17-6-2-1-3-7-17/h10,12,20H,1-9H2/t10-,12-/m0/s1.
What are the key properties of 1-piperidin-1-yl-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone?
1-piperidin-1-yl-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone has a molecular weight of 294.32 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 1-piperidin-1-yl-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124554794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).