3,3-difluoro-6-(methoxymethyl)-2-methylpiperidine

C8H15F2NO — CID 171531275

IUPAC3,3-difluoro-6-(methoxymethyl)-2-methylpiperidine
SMILESCOCC1CCC(F)(F)C(C)N1
InChIInChI=1S/C8H15F2NO/c1-6-8(9,10)4-3-7(11-6)5-12-2/h6-7,11H,3-5H2,1-2H3
InChIKeyBXBTWNFBYWJXKI-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.41
Rot. Bonds2

About 3,3-difluoro-6-(methoxymethyl)-2-methylpiperidine

3,3-difluoro-6-(methoxymethyl)-2-methylpiperidine (PubChem CID 171531275) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 3,3-difluoro-6-(methoxymethyl)-2-methylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-6-(methoxymethyl)-2-methylpiperidine
PubChem CID171531275
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name3,3-difluoro-6-(methoxymethyl)-2-methylpiperidine
SMILESCOCC1CCC(F)(F)C(C)N1
InChIInChI=1S/C8H15F2NO/c1-6-8(9,10)4-3-7(11-6)5-12-2/h6-7,11H,3-5H2,1-2H3
InChIKeyBXBTWNFBYWJXKI-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Methoxymethyl)piperidine
CID 4090648
2-Fluoro-2-hexylmorpholine
CID 67944017
7,7-Difluoro-3-oxa-9-azabicyclo[3.3.1]nonane
CID 76223012
2-(Methoxymethyl)-6-methyl-1-(trifluoromethyl)piperidin-4-amine
CID 134445087
2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine
CID 142607542
7,7-Difluoro-9-methanidyl-3-oxa-9-azoniabicyclo[3.3.1]nonane
CID 145770885
(6-Ethyl-4,5-difluoropiperidin-2-yl)methanol
CID 155607395
(6-Ethyl-4,4-difluoropiperidin-2-yl)methanol
CID 155607403
Methanidyl-[2,2,2-trifluoro-1-(oxan-2-yl)ethyl]azanium
CID 155624937
4,4-Difluoro-2-(methoxymethyl)-1,6-dimethylpiperidine
CID 166860393
2-Ethyl-3-fluoro-5-methoxypiperidine
CID 167076426
(3S)-N-(6,6,6-trifluorohexan-2-yl)oxan-3-amine
CID 169190965

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-6-(methoxymethyl)-2-methylpiperidine?
The IUPAC name of 3,3-difluoro-6-(methoxymethyl)-2-methylpiperidine (CID 171531275) is 3,3-difluoro-6-(methoxymethyl)-2-methylpiperidine.
What is the SMILES notation for 3,3-difluoro-6-(methoxymethyl)-2-methylpiperidine?
The canonical SMILES for 3,3-difluoro-6-(methoxymethyl)-2-methylpiperidine is COCC1CCC(F)(F)C(C)N1.
What is the InChIKey of 3,3-difluoro-6-(methoxymethyl)-2-methylpiperidine?
The InChIKey is BXBTWNFBYWJXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6-8(9,10)4-3-7(11-6)5-12-2/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 3,3-difluoro-6-(methoxymethyl)-2-methylpiperidine?
3,3-difluoro-6-(methoxymethyl)-2-methylpiperidine has a molecular weight of 179.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-6-(methoxymethyl)-2-methylpiperidine is sourced from PubChem (CID 171531275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).