5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane

C12H27F2NO — CID 176568011

IUPAC5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane
SMILESCC.CC.COCC1CCC(F)(F)CN1C
InChIInChI=1S/C8H15F2NO.2C2H6/c1-11-6-8(9,10)4-3-7(11)5-12-2;2*1-2/h7H,3-6H2,1-2H3;2*1-2H3
InChIKeyWDKSLEJCRRIQGG-UHFFFAOYSA-N
MW239.35 g/mol
LogP3.41
Rot. Bonds2

About 5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane

5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane (PubChem CID 176568011) has the molecular formula C12H27F2NO and a molecular weight of 239.35 g/mol. Its IUPAC name is 5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane.

Molecular Properties

Compound Name5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane
PubChem CID176568011
Molecular FormulaC12H27F2NO
Molecular Weight239.35 g/mol
Exact Mass239.21
IUPAC Name5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane
SMILESCC.CC.COCC1CCC(F)(F)CN1C
InChIInChI=1S/C8H15F2NO.2C2H6/c1-11-6-8(9,10)4-3-7(11)5-12-2;2*1-2/h7H,3-6H2,1-2H3;2*1-2H3
InChIKeyWDKSLEJCRRIQGG-UHFFFAOYSA-N
XLogP3.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.35
LogP ≤ 53.41
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
Piperidine, 2-((3-(dimethylamino)propoxy)methyl)-1-methyl-
CID 3064706
4,4-difluoro-2-methoxy-N,N-dimethylcyclohexan-1-amine
CID 58035393
4,4-Difluoro-3-methoxy-1-propan-2-ylpiperidine
CID 58110410
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-[8-(2,2-Difluoropropoxy)octyl]morpholine
CID 58341579
1-[2-(2,2,3,3,4,4,5,5-Octafluoropentoxy)ethyl]piperidine
CID 59204081
1-Methyl-6-(trifluoromethoxymethyl)piperidine-2-thione
CID 91511854
4-(4,4-Difluorocyclohexyl)morpholine
CID 124195135

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane?
The IUPAC name of 5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane (CID 176568011) is 5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane.
What is the SMILES notation for 5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane?
The canonical SMILES for 5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane is CC.CC.COCC1CCC(F)(F)CN1C.
What is the InChIKey of 5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane?
The InChIKey is WDKSLEJCRRIQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO.2C2H6/c1-11-6-8(9,10)4-3-7(11)5-12-2;2*1-2/h7H,3-6H2,1-2H3;2*1-2H3.
What are the key properties of 5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane?
5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane has a molecular weight of 239.35 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane is sourced from PubChem (CID 176568011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).