2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone

C14H24F2N2O2 — CID 156798850

IUPAC2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESCCC1CCN(CC(=O)N2CCC(CO)C2)CC1(F)F
InChIInChI=1S/C14H24F2N2O2/c1-2-12-4-5-17(10-14(12,15)16)8-13(20)18-6-3-11(7-18)9-19/h11-12,19H,2-10H2,1H3
InChIKeyWCOAXJKTGHNHRC-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.19
Rot. Bonds4

About 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone

2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 156798850) has the molecular formula C14H24F2N2O2 and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID156798850
Molecular FormulaC14H24F2N2O2
Molecular Weight290.35 g/mol
Exact Mass290.18
IUPAC Name2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESCCC1CCN(CC(=O)N2CCC(CO)C2)CC1(F)F
InChIInChI=1S/C14H24F2N2O2/c1-2-12-4-5-17(10-14(12,15)16)8-13(20)18-6-3-11(7-18)9-19/h11-12,19H,2-10H2,1H3
InChIKeyWCOAXJKTGHNHRC-UHFFFAOYSA-N
XLogP1.19
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 71999950
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-hydroxypyrrolidin-1-yl)ethanone;ethane
CID 156799180
2-(4-(Hydroxymethyl)piperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51080741
1-[4-(Hydroxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 79260821
2-[4-(Hydroxymethyl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 87017173
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 91652247
2-[(3R)-3-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 97572403
2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 97572404
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
CID 103856810
2-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
CID 107485164
2-[4-Hydroxy-4-(trifluoromethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 109885504

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone (CID 156798850) is 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone is CCC1CCN(CC(=O)N2CCC(CO)C2)CC1(F)F.
What is the InChIKey of 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is WCOAXJKTGHNHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O2/c1-2-12-4-5-17(10-14(12,15)16)8-13(20)18-6-3-11(7-18)9-19/h11-12,19H,2-10H2,1H3.
What are the key properties of 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 290.35 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 156798850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).