2-(ethoxymethyl)-4,4-difluoro-6-methyl-1-propan-2-ylpiperidine

C12H23F2NO — CID 177120552

IUPAC2-(ethoxymethyl)-4,4-difluoro-6-methyl-1-propan-2-ylpiperidine
SMILESCCOCC1CC(F)(F)CC(C)N1C(C)C
InChIInChI=1S/C12H23F2NO/c1-5-16-8-11-7-12(13,14)6-10(4)15(11)9(2)3/h9-11H,5-8H2,1-4H3
InChIKeyLUFCNJCYPCNMAR-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.92
Rot. Bonds4

About 2-(ethoxymethyl)-4,4-difluoro-6-methyl-1-propan-2-ylpiperidine

2-(ethoxymethyl)-4,4-difluoro-6-methyl-1-propan-2-ylpiperidine (PubChem CID 177120552) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4,4-difluoro-6-methyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name2-(ethoxymethyl)-4,4-difluoro-6-methyl-1-propan-2-ylpiperidine
PubChem CID177120552
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name2-(ethoxymethyl)-4,4-difluoro-6-methyl-1-propan-2-ylpiperidine
SMILESCCOCC1CC(F)(F)CC(C)N1C(C)C
InChIInChI=1S/C12H23F2NO/c1-5-16-8-11-7-12(13,14)6-10(4)15(11)9(2)3/h9-11H,5-8H2,1-4H3
InChIKeyLUFCNJCYPCNMAR-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine, 2-((2-(dimethylamino)ethoxy)methyl)-1-methyl-
CID 3064888
Piperidine, 2-((2-(diethylamino)ethoxy)methyl)-1-methyl-
CID 3087276
1-[8-(2,2-Difluoropropoxy)octyl]piperidine
CID 58341552
4-[2-(2,2-Difluoropropoxy)cyclohexyl]morpholine
CID 58341559
1-[2-(2,2-Difluoropropoxy)cyclohexyl]piperidine
CID 58341563
4-[6-(2,2-Difluoropropoxy)hexyl]morpholine
CID 58341567
4-[12-(2,2-Difluoropropoxy)dodecyl]morpholine
CID 58341574
4-[8-(2,2-Difluoropropoxy)octyl]morpholine
CID 58341579
4-Heptan-4-yl-2-methyl-6-(trifluoromethyl)morpholine
CID 123954752
2-(Ethoxymethyl)-4,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine
CID 126486802
2-(Difluoromethoxymethyl)-1-ethylpiperidine
CID 130226126
4-[1,1,1,3,3-Pentafluoro-3-(oxolan-2-yl)propan-2-yl]morpholine
CID 130427396

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4,4-difluoro-6-methyl-1-propan-2-ylpiperidine?
The IUPAC name of 2-(ethoxymethyl)-4,4-difluoro-6-methyl-1-propan-2-ylpiperidine (CID 177120552) is 2-(ethoxymethyl)-4,4-difluoro-6-methyl-1-propan-2-ylpiperidine.
What is the SMILES notation for 2-(ethoxymethyl)-4,4-difluoro-6-methyl-1-propan-2-ylpiperidine?
The canonical SMILES for 2-(ethoxymethyl)-4,4-difluoro-6-methyl-1-propan-2-ylpiperidine is CCOCC1CC(F)(F)CC(C)N1C(C)C.
What is the InChIKey of 2-(ethoxymethyl)-4,4-difluoro-6-methyl-1-propan-2-ylpiperidine?
The InChIKey is LUFCNJCYPCNMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-5-16-8-11-7-12(13,14)6-10(4)15(11)9(2)3/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-(ethoxymethyl)-4,4-difluoro-6-methyl-1-propan-2-ylpiperidine?
2-(ethoxymethyl)-4,4-difluoro-6-methyl-1-propan-2-ylpiperidine has a molecular weight of 235.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4,4-difluoro-6-methyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 177120552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).