3-fluoro-3-methyl-1-(oxan-3-ylmethyl)piperidine

C12H22FNO — CID 126790286

IUPAC3-fluoro-3-methyl-1-(oxan-3-ylmethyl)piperidine
SMILESCC1(F)CCCN(CC2CCCOC2)C1
InChIInChI=1S/C12H22FNO/c1-12(13)5-3-6-14(10-12)8-11-4-2-7-15-9-11/h11H,2-10H2,1H3
InChIKeyXXCWTOVXPRBBAZ-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.24
Rot. Bonds2

About 3-fluoro-3-methyl-1-(oxan-3-ylmethyl)piperidine

3-fluoro-3-methyl-1-(oxan-3-ylmethyl)piperidine (PubChem CID 126790286) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-(oxan-3-ylmethyl)piperidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-(oxan-3-ylmethyl)piperidine
PubChem CID126790286
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name3-fluoro-3-methyl-1-(oxan-3-ylmethyl)piperidine
SMILESCC1(F)CCCN(CC2CCCOC2)C1
InChIInChI=1S/C12H22FNO/c1-12(13)5-3-6-14(10-12)8-11-4-2-7-15-9-11/h11H,2-10H2,1H3
InChIKeyXXCWTOVXPRBBAZ-UHFFFAOYSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Fluorooxan-4-yl)-4-methylpiperidine
CID 121366966
1-Methyl-3-(trifluoromethoxymethyl)piperidine
CID 122664383
1-(3-Fluorooxan-4-yl)-4-propan-2-ylpiperidine
CID 123280602
3-(Difluoromethoxymethyl)-1-ethylpiperidine
CID 130226795
3-(Difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine
CID 137419206
(3S)-3-fluoro-3-(methoxymethyl)-1-methylpiperidine
CID 139364333
(1-Methylpiperidin-3-yl)methyl hypofluorite
CID 143096686
4-Ethyl-4-fluoro-1-(oxan-4-ylmethyl)piperidine
CID 144714352
4-Fluoro-4-methyl-1-(oxan-4-yl)piperidine
CID 145493424
1-[(3S,4S)-3-fluorooxan-4-yl]-4-methylpiperidine
CID 145698218
2,2-difluoro-N-methyl-N-[(5-methyl-4-propan-2-yloxan-3-yl)methyl]ethanamine
CID 146500778
(3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine
CID 147142299

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-(oxan-3-ylmethyl)piperidine?
The IUPAC name of 3-fluoro-3-methyl-1-(oxan-3-ylmethyl)piperidine (CID 126790286) is 3-fluoro-3-methyl-1-(oxan-3-ylmethyl)piperidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-(oxan-3-ylmethyl)piperidine?
The canonical SMILES for 3-fluoro-3-methyl-1-(oxan-3-ylmethyl)piperidine is CC1(F)CCCN(CC2CCCOC2)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-(oxan-3-ylmethyl)piperidine?
The InChIKey is XXCWTOVXPRBBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-12(13)5-3-6-14(10-12)8-11-4-2-7-15-9-11/h11H,2-10H2,1H3.
What are the key properties of 3-fluoro-3-methyl-1-(oxan-3-ylmethyl)piperidine?
3-fluoro-3-methyl-1-(oxan-3-ylmethyl)piperidine has a molecular weight of 215.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-(oxan-3-ylmethyl)piperidine is sourced from PubChem (CID 126790286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).