2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone

C15H26F2N2O2 — CID 156799040

IUPAC2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESCC(C)C1CCN(CC(=O)N2CCC(CO)C2)CC1(F)F
InChIInChI=1S/C15H26F2N2O2/c1-11(2)13-4-5-18(10-15(13,16)17)8-14(21)19-6-3-12(7-19)9-20/h11-13,20H,3-10H2,1-2H3
InChIKeyVCOMLGAWVGDKRM-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.44
Rot. Bonds4

About 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone

2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 156799040) has the molecular formula C15H26F2N2O2 and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID156799040
Molecular FormulaC15H26F2N2O2
Molecular Weight304.38 g/mol
Exact Mass304.20
IUPAC Name2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESCC(C)C1CCN(CC(=O)N2CCC(CO)C2)CC1(F)F
InChIInChI=1S/C15H26F2N2O2/c1-11(2)13-4-5-18(10-15(13,16)17)8-14(21)19-6-3-12(7-19)9-20/h11-13,20H,3-10H2,1-2H3
InChIKeyVCOMLGAWVGDKRM-UHFFFAOYSA-N
XLogP1.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.44
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-(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-hydroxypyrrolidin-1-yl)ethanone;ethane
CID 156799180
2-(3,3-Difluoro-4-propan-2-ylpiperidin-1-yl)-1-[3-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone
CID 172511233
2-[4-(Hydroxymethyl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 87017173
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-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 109901940
2-(3-hydroxy-4-methylpiperidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 109950212
2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 109950248
3-[3-(1-Hydroxyethyl)pyrrolidin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 109997551
2-[3-(1-Hydroxyethyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 110019881

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone (CID 156799040) is 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone is CC(C)C1CCN(CC(=O)N2CCC(CO)C2)CC1(F)F.
What is the InChIKey of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is VCOMLGAWVGDKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2O2/c1-11(2)13-4-5-18(10-15(13,16)17)8-14(21)19-6-3-12(7-19)9-20/h11-13,20H,3-10H2,1-2H3.
What are the key properties of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 304.38 g/mol, XLogP of 1.44, 4 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-(hydroxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 156799040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).