2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone

C18H32F2N2O2 — CID 172511219

IUPAC2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone
SMILESCC(C)OC1CCN(C(=O)CN2CCC(C(C)C)C(F)(F)C2)CC1
InChIInChI=1S/C18H32F2N2O2/c1-13(2)16-7-8-21(12-18(16,19)20)11-17(23)22-9-5-15(6-10-22)24-14(3)4/h13-16H,5-12H2,1-4H3
InChIKeyOFODHVIWKZXYIS-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.02
Rot. Bonds5

About 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone

2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone (PubChem CID 172511219) has the molecular formula C18H32F2N2O2 and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone
PubChem CID172511219
Molecular FormulaC18H32F2N2O2
Molecular Weight346.46 g/mol
Exact Mass346.24
IUPAC Name2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone
SMILESCC(C)OC1CCN(C(=O)CN2CCC(C(C)C)C(F)(F)C2)CC1
InChIInChI=1S/C18H32F2N2O2/c1-13(2)16-7-8-21(12-18(16,19)20)11-17(23)22-9-5-15(6-10-22)24-14(3)4/h13-16H,5-12H2,1-4H3
InChIKeyOFODHVIWKZXYIS-UHFFFAOYSA-N
XLogP3.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-[4-[2-(3-Fluoro-4-propan-2-yloxypiperidin-1-yl)ethyl]piperidin-1-yl]ethanone
CID 156187618
2-(3,3-Difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 156799120
2-(3,3-Difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-ethoxypyrrolidin-1-yl)ethanone
CID 156799174
Ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 156799313
1-[4-[(3-Fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 165372729
2-(3,3-Difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxypyrrolidin-1-yl)ethanone
CID 172511134
2-(3,3-Difluoro-4-propan-2-ylpiperidin-1-yl)-1-[3-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone
CID 172511233
2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78903326
N-methyl-2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 78903328
2-(2,2-Dimethylmorpholin-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 87016727
rac-(2R,6S)-2,6-dimethyl-4-{[4-(trifluoromethyl)piperidin-1-yl]acetyl}morpholine
CID 132406631
2-(4-Ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 156799314

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone (CID 172511219) is 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone is CC(C)OC1CCN(C(=O)CN2CCC(C(C)C)C(F)(F)C2)CC1.
What is the InChIKey of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone?
The InChIKey is OFODHVIWKZXYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F2N2O2/c1-13(2)16-7-8-21(12-18(16,19)20)11-17(23)22-9-5-15(6-10-22)24-14(3)4/h13-16H,5-12H2,1-4H3.
What are the key properties of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone?
2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone has a molecular weight of 346.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 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-(4-propan-2-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 172511219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).