2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;ethane

C16H30F2N2O2 — CID 156799180

IUPAC2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;ethane
SMILESCC.CC(C)C1CCN(CC(=O)N2CCC(O)C2)CC1(F)F
InChIInChI=1S/C14H24F2N2O2.C2H6/c1-10(2)12-4-5-17(9-14(12,15)16)8-13(20)18-6-3-11(19)7-18;1-2/h10-12,19H,3-9H2,1-2H3;1-2H3
InChIKeyGKGIAOJJMCYFPJ-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.22
Rot. Bonds3

About 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;ethane

2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;ethane (PubChem CID 156799180) has the molecular formula C16H30F2N2O2 and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;ethane.

Molecular Properties

Compound Name2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;ethane
PubChem CID156799180
Molecular FormulaC16H30F2N2O2
Molecular Weight320.42 g/mol
Exact Mass320.23
IUPAC Name2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;ethane
SMILESCC.CC(C)C1CCN(CC(=O)N2CCC(O)C2)CC1(F)F
InChIInChI=1S/C14H24F2N2O2.C2H6/c1-10(2)12-4-5-17(9-14(12,15)16)8-13(20)18-6-3-11(19)7-18;1-2/h10-12,19H,3-9H2,1-2H3;1-2H3
InChIKeyGKGIAOJJMCYFPJ-UHFFFAOYSA-N
XLogP2.22
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;ethane with MolForge

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Related Compounds

1-(cyclopentylmethyl)-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]piperazin-2-one
CID 97881354
(3R*,4R*)-3-isopropyl-4-methyl-1-[2-oxo-2-(1-piperidinyl)ethyl]-3-pyrrolidinol
CID 133110911
2-(4-Ethyl-3,3-difluoropiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 156798850
2-(3,3-Difluoro-4-propan-2-ylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 156799040
2-(3,3-Difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-ethoxypyrrolidin-1-yl)ethanone
CID 156799174
2-(3,3-Difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxypyrrolidin-1-yl)ethanone
CID 172511134
2-[2-Hydroxyethyl(propyl)amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 78896994
1-(Cyclopentylmethyl)-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-2-one
CID 86792576
1-(cyclopentylmethyl)-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]piperazin-2-one
CID 97881355
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 103856802
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
CID 103856810
1-(3,5-Dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanone
CID 103864852

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;ethane?
The IUPAC name of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;ethane (CID 156799180) is 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;ethane.
What is the SMILES notation for 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;ethane?
The canonical SMILES for 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;ethane is CC.CC(C)C1CCN(CC(=O)N2CCC(O)C2)CC1(F)F.
What is the InChIKey of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;ethane?
The InChIKey is GKGIAOJJMCYFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O2.C2H6/c1-10(2)12-4-5-17(9-14(12,15)16)8-13(20)18-6-3-11(19)7-18;1-2/h10-12,19H,3-9H2,1-2H3;1-2H3.
What are the key properties of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;ethane?
2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;ethane has a molecular weight of 320.42 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone;ethane is sourced from PubChem (CID 156799180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).