3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine

C11H21F2NO — CID 171532023

IUPAC3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine
SMILESCOCC1CCC(F)(F)C(C(C)C)N1C
InChIInChI=1S/C11H21F2NO/c1-8(2)10-11(12,13)6-5-9(7-15-4)14(10)3/h8-10H,5-7H2,1-4H3
InChIKeyPJPYQAKVQHZIPV-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.39
Rot. Bonds3

About 3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine

3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine (PubChem CID 171532023) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine
PubChem CID171532023
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine
SMILESCOCC1CCC(F)(F)C(C(C)C)N1C
InChIInChI=1S/C11H21F2NO/c1-8(2)10-11(12,13)6-5-9(7-15-4)14(10)3/h8-10H,5-7H2,1-4H3
InChIKeyPJPYQAKVQHZIPV-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4,4,7,7,8,9,9,9-Octafluoro-2-methyl-8-(trifluoromethyl)nonyl]morpholine
CID 89623744
7-Methyl-9-(2,2,2-trifluoroethyl)-3-oxa-9-azabicyclo[3.3.1]nonane
CID 90446334
2-(Ethoxymethyl)-4-hexan-3-yl-6-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 126486779
2-(Ethoxymethyl)-4,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine
CID 126486802
2-(Difluoromethoxymethyl)-1-ethylpiperidine
CID 130226126
2-(Difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine
CID 137419209
4-[1-(5,5-Difluoro-4-propan-2-yloxan-2-yl)propan-2-yl]morpholine
CID 139319763
4-(2,2-Difluoroethyl)-2-(4-methylpentyl)morpholine
CID 166800110
4,4-Difluoro-2-(methoxymethyl)-1,6-dimethylpiperidine
CID 166860393
3-(Difluoromethoxy)-1-methyl-2-propan-2-ylpiperidine
CID 170771867
3,3-Difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen
CID 171531442
3,3-Difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine
CID 171531443

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine?
The IUPAC name of 3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine (CID 171532023) is 3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine.
What is the SMILES notation for 3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine?
The canonical SMILES for 3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine is COCC1CCC(F)(F)C(C(C)C)N1C.
What is the InChIKey of 3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine?
The InChIKey is PJPYQAKVQHZIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-8(2)10-11(12,13)6-5-9(7-15-4)14(10)3/h8-10H,5-7H2,1-4H3.
What are the key properties of 3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine?
3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine has a molecular weight of 221.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine is sourced from PubChem (CID 171532023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).