3,3-difluoro-4-methyl-1-(3-methyloxetan-3-yl)piperidine

C10H17F2NO — CID 171551916

IUPAC3,3-difluoro-4-methyl-1-(3-methyloxetan-3-yl)piperidine
SMILESCC1CCN(C2(C)COC2)CC1(F)F
InChIInChI=1S/C10H17F2NO/c1-8-3-4-13(5-10(8,11)12)9(2)6-14-7-9/h8H,3-7H2,1-2H3
InChIKeyYDAWSXIKCWHKCL-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.75
Rot. Bonds1

About 3,3-difluoro-4-methyl-1-(3-methyloxetan-3-yl)piperidine

3,3-difluoro-4-methyl-1-(3-methyloxetan-3-yl)piperidine (PubChem CID 171551916) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 3,3-difluoro-4-methyl-1-(3-methyloxetan-3-yl)piperidine.

Molecular Properties

Compound Name3,3-difluoro-4-methyl-1-(3-methyloxetan-3-yl)piperidine
PubChem CID171551916
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name3,3-difluoro-4-methyl-1-(3-methyloxetan-3-yl)piperidine
SMILESCC1CCN(C2(C)COC2)CC1(F)F
InChIInChI=1S/C10H17F2NO/c1-8-3-4-13(5-10(8,11)12)9(2)6-14-7-9/h8H,3-7H2,1-2H3
InChIKeyYDAWSXIKCWHKCL-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluoro-1-(2-methoxyethyl)-4-methylpiperidine
CID 59343303
1-(1-Methoxyethyl)-4-(trifluoromethyl)piperidine
CID 90935730
4-Propan-2-yl-1-[2-(trifluoromethoxy)ethyl]piperidine
CID 129066643
4,4-Difluoro-3-methyl-1-(oxetan-3-yl)piperidine
CID 129270060
4-Methyl-1-[2-(trifluoromethoxy)ethyl]piperidine
CID 130420846
3,3-Difluoro-1-(2-methoxyethyl)-4-methylpiperidine
CID 131152778
3-Fluoro-1-(2-methoxyethyl)-4-methylpiperidine
CID 131199822
4,4-Difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine
CID 137391663
4-Fluoro-4-methyl-1-(oxetan-3-yl)piperidine
CID 137512520
3-Ethyl-4,4-difluoro-1-(oxetan-3-yl)piperidine
CID 138617821
3,3-Difluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 138617857
4-Ethyl-3,3-difluoro-1-(oxetan-3-yl)piperidine
CID 138751967

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methyl-1-(3-methyloxetan-3-yl)piperidine?
The IUPAC name of 3,3-difluoro-4-methyl-1-(3-methyloxetan-3-yl)piperidine (CID 171551916) is 3,3-difluoro-4-methyl-1-(3-methyloxetan-3-yl)piperidine.
What is the SMILES notation for 3,3-difluoro-4-methyl-1-(3-methyloxetan-3-yl)piperidine?
The canonical SMILES for 3,3-difluoro-4-methyl-1-(3-methyloxetan-3-yl)piperidine is CC1CCN(C2(C)COC2)CC1(F)F.
What is the InChIKey of 3,3-difluoro-4-methyl-1-(3-methyloxetan-3-yl)piperidine?
The InChIKey is YDAWSXIKCWHKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-8-3-4-13(5-10(8,11)12)9(2)6-14-7-9/h8H,3-7H2,1-2H3.
What are the key properties of 3,3-difluoro-4-methyl-1-(3-methyloxetan-3-yl)piperidine?
3,3-difluoro-4-methyl-1-(3-methyloxetan-3-yl)piperidine has a molecular weight of 205.25 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methyl-1-(3-methyloxetan-3-yl)piperidine is sourced from PubChem (CID 171551916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).