3-fluoro-4-methyl-1-(1-methylazetidin-3-yl)piperidine

C10H19FN2 — CID 155357779

IUPAC3-fluoro-4-methyl-1-(1-methylazetidin-3-yl)piperidine
SMILESCC1CCN(C2CN(C)C2)CC1F
InChIInChI=1S/C10H19FN2/c1-8-3-4-13(7-10(8)11)9-5-12(2)6-9/h8-10H,3-7H2,1-2H3
InChIKeyFVYLFLVYDOPYLK-UHFFFAOYSA-N
MW186.27 g/mol
LogP0.98
Rot. Bonds1

About 3-fluoro-4-methyl-1-(1-methylazetidin-3-yl)piperidine

3-fluoro-4-methyl-1-(1-methylazetidin-3-yl)piperidine (PubChem CID 155357779) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 3-fluoro-4-methyl-1-(1-methylazetidin-3-yl)piperidine.

Molecular Properties

Compound Name3-fluoro-4-methyl-1-(1-methylazetidin-3-yl)piperidine
PubChem CID155357779
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name3-fluoro-4-methyl-1-(1-methylazetidin-3-yl)piperidine
SMILESCC1CCN(C2CN(C)C2)CC1F
InChIInChI=1S/C10H19FN2/c1-8-3-4-13(7-10(8)11)9-5-12(2)6-9/h8-10H,3-7H2,1-2H3
InChIKeyFVYLFLVYDOPYLK-UHFFFAOYSA-N
XLogP0.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-1-(1-methylazetidin-3-yl)piperidine?
The IUPAC name of 3-fluoro-4-methyl-1-(1-methylazetidin-3-yl)piperidine (CID 155357779) is 3-fluoro-4-methyl-1-(1-methylazetidin-3-yl)piperidine.
What is the SMILES notation for 3-fluoro-4-methyl-1-(1-methylazetidin-3-yl)piperidine?
The canonical SMILES for 3-fluoro-4-methyl-1-(1-methylazetidin-3-yl)piperidine is CC1CCN(C2CN(C)C2)CC1F.
What is the InChIKey of 3-fluoro-4-methyl-1-(1-methylazetidin-3-yl)piperidine?
The InChIKey is FVYLFLVYDOPYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c1-8-3-4-13(7-10(8)11)9-5-12(2)6-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-fluoro-4-methyl-1-(1-methylazetidin-3-yl)piperidine?
3-fluoro-4-methyl-1-(1-methylazetidin-3-yl)piperidine has a molecular weight of 186.27 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-1-(1-methylazetidin-3-yl)piperidine is sourced from PubChem (CID 155357779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).