4,4-difluoro-2-(methoxymethyl)-1,6-dimethylpiperidine

C9H17F2NO — CID 166860393

IUPAC4,4-difluoro-2-(methoxymethyl)-1,6-dimethylpiperidine
SMILESCOCC1CC(F)(F)CC(C)N1C
InChIInChI=1S/C9H17F2NO/c1-7-4-9(10,11)5-8(6-13-3)12(7)2/h7-8H,4-6H2,1-3H3
InChIKeyFMJNIKYNFJWALP-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.75
Rot. Bonds2

About 4,4-difluoro-2-(methoxymethyl)-1,6-dimethylpiperidine

4,4-difluoro-2-(methoxymethyl)-1,6-dimethylpiperidine (PubChem CID 166860393) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4,4-difluoro-2-(methoxymethyl)-1,6-dimethylpiperidine.

Molecular Properties

Compound Name4,4-difluoro-2-(methoxymethyl)-1,6-dimethylpiperidine
PubChem CID166860393
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4,4-difluoro-2-(methoxymethyl)-1,6-dimethylpiperidine
SMILESCOCC1CC(F)(F)CC(C)N1C
InChIInChI=1S/C9H17F2NO/c1-7-4-9(10,11)5-8(6-13-3)12(7)2/h7-8H,4-6H2,1-3H3
InChIKeyFMJNIKYNFJWALP-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,3,4-Trifluoro-6-(3-fluorooxiran-2-yl)-1-methylpiperidine
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CID 126486802
2-(Difluoromethoxymethyl)-1-ethylpiperidine
CID 130226126
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2-(Difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine
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7,7-Difluoro-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane
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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-(methoxymethyl)-1,6-dimethylpiperidine?
The IUPAC name of 4,4-difluoro-2-(methoxymethyl)-1,6-dimethylpiperidine (CID 166860393) is 4,4-difluoro-2-(methoxymethyl)-1,6-dimethylpiperidine.
What is the SMILES notation for 4,4-difluoro-2-(methoxymethyl)-1,6-dimethylpiperidine?
The canonical SMILES for 4,4-difluoro-2-(methoxymethyl)-1,6-dimethylpiperidine is COCC1CC(F)(F)CC(C)N1C.
What is the InChIKey of 4,4-difluoro-2-(methoxymethyl)-1,6-dimethylpiperidine?
The InChIKey is FMJNIKYNFJWALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7-4-9(10,11)5-8(6-13-3)12(7)2/h7-8H,4-6H2,1-3H3.
What are the key properties of 4,4-difluoro-2-(methoxymethyl)-1,6-dimethylpiperidine?
4,4-difluoro-2-(methoxymethyl)-1,6-dimethylpiperidine has a molecular weight of 193.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-(methoxymethyl)-1,6-dimethylpiperidine is sourced from PubChem (CID 166860393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).