4-[(3-fluoroazetidin-3-yl)methoxy]-1-methylpiperidine

C10H19FN2O — CID 176675959

IUPAC4-[(3-fluoroazetidin-3-yl)methoxy]-1-methylpiperidine
SMILESCN1CCC(OCC2(F)CNC2)CC1
InChIInChI=1S/C10H19FN2O/c1-13-4-2-9(3-5-13)14-8-10(11)6-12-7-10/h9,12H,2-8H2,1H3
InChIKeyBQBBOPKUSCTVDO-UHFFFAOYSA-N
MW202.27 g/mol
LogP0.41
Rot. Bonds3

About 4-[(3-fluoroazetidin-3-yl)methoxy]-1-methylpiperidine

4-[(3-fluoroazetidin-3-yl)methoxy]-1-methylpiperidine (PubChem CID 176675959) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is 4-[(3-fluoroazetidin-3-yl)methoxy]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(3-fluoroazetidin-3-yl)methoxy]-1-methylpiperidine
PubChem CID176675959
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC Name4-[(3-fluoroazetidin-3-yl)methoxy]-1-methylpiperidine
SMILESCN1CCC(OCC2(F)CNC2)CC1
InChIInChI=1S/C10H19FN2O/c1-13-4-2-9(3-5-13)14-8-10(11)6-12-7-10/h9,12H,2-8H2,1H3
InChIKeyBQBBOPKUSCTVDO-UHFFFAOYSA-N
XLogP0.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethyl[3-(piperidin-4-yloxy)propyl]amine
CID 61103075
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(3S,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 59519996
(3S,4R)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 59520008
4-{[(2S)-2-fluoropropyl]oxy}piperidine
CID 86694328
4-[(2R)-2-fluoropropoxy]piperidine
CID 89688425
(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine
CID 118551859
(3R,4R)-3-fluoro-4-propan-2-yloxypiperidine
CID 121261788
(3S,4R)-3-fluoro-4-propan-2-yloxypiperidine
CID 124162756
[1-(Azetidin-3-ylmethyl)piperidin-4-yl] hypofluorite
CID 168901818
(3R,4S)-4-(azetidin-3-ylmethoxy)-3-fluoropiperidine
CID 170091059

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoroazetidin-3-yl)methoxy]-1-methylpiperidine?
The IUPAC name of 4-[(3-fluoroazetidin-3-yl)methoxy]-1-methylpiperidine (CID 176675959) is 4-[(3-fluoroazetidin-3-yl)methoxy]-1-methylpiperidine.
What is the SMILES notation for 4-[(3-fluoroazetidin-3-yl)methoxy]-1-methylpiperidine?
The canonical SMILES for 4-[(3-fluoroazetidin-3-yl)methoxy]-1-methylpiperidine is CN1CCC(OCC2(F)CNC2)CC1.
What is the InChIKey of 4-[(3-fluoroazetidin-3-yl)methoxy]-1-methylpiperidine?
The InChIKey is BQBBOPKUSCTVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O/c1-13-4-2-9(3-5-13)14-8-10(11)6-12-7-10/h9,12H,2-8H2,1H3.
What are the key properties of 4-[(3-fluoroazetidin-3-yl)methoxy]-1-methylpiperidine?
4-[(3-fluoroazetidin-3-yl)methoxy]-1-methylpiperidine has a molecular weight of 202.27 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoroazetidin-3-yl)methoxy]-1-methylpiperidine is sourced from PubChem (CID 176675959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).