1-[2-(3-fluoro-1-methylazetidin-3-yl)ethyl]-4-methylpiperidine

C12H23FN2 — CID 166536782

IUPAC1-[2-(3-fluoro-1-methylazetidin-3-yl)ethyl]-4-methylpiperidine
SMILESCC1CCN(CCC2(F)CN(C)C2)CC1
InChIInChI=1S/C12H23FN2/c1-11-3-6-15(7-4-11)8-5-12(13)9-14(2)10-12/h11H,3-10H2,1-2H3
InChIKeyCOYWEWTXPMWAMT-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.76
Rot. Bonds3

About 1-[2-(3-fluoro-1-methylazetidin-3-yl)ethyl]-4-methylpiperidine

1-[2-(3-fluoro-1-methylazetidin-3-yl)ethyl]-4-methylpiperidine (PubChem CID 166536782) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-[2-(3-fluoro-1-methylazetidin-3-yl)ethyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[2-(3-fluoro-1-methylazetidin-3-yl)ethyl]-4-methylpiperidine
PubChem CID166536782
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Name1-[2-(3-fluoro-1-methylazetidin-3-yl)ethyl]-4-methylpiperidine
SMILESCC1CCN(CCC2(F)CN(C)C2)CC1
InChIInChI=1S/C12H23FN2/c1-11-3-6-15(7-4-11)8-5-12(13)9-14(2)10-12/h11H,3-10H2,1-2H3
InChIKeyCOYWEWTXPMWAMT-UHFFFAOYSA-N
XLogP1.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-1-ethyl-3-fluoro-4-methylpiperidine
CID 58394807
(3R,4R)-1-ethyl-3-fluoro-4-methylpiperidine
CID 58395405
3-Fluoro-1-(3-methylbutyl)piperidine
CID 58664935
4-Fluoro-1-(3-methylbutyl)piperidine
CID 58721597
1-(2-Fluoroethyl)-4-methylpiperidine
CID 59733449
1-(2,2-Dimethylpropyl)-4-(fluoromethyl)piperidine
CID 59848520
(3R)-1-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methylpiperidine
CID 66580574
(3S)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-ethylpiperidine
CID 66580738
(3R)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine
CID 66580872
(3S)-3-ethyl-1-[2-(3-fluoroazetidin-1-yl)ethyl]piperidine
CID 66580897
1-Ethyl-4-fluoro-4-methylpiperidine
CID 68055006
1-Ethyl-3-fluoro-4-methylpiperidine
CID 68260778

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-1-methylazetidin-3-yl)ethyl]-4-methylpiperidine?
The IUPAC name of 1-[2-(3-fluoro-1-methylazetidin-3-yl)ethyl]-4-methylpiperidine (CID 166536782) is 1-[2-(3-fluoro-1-methylazetidin-3-yl)ethyl]-4-methylpiperidine.
What is the SMILES notation for 1-[2-(3-fluoro-1-methylazetidin-3-yl)ethyl]-4-methylpiperidine?
The canonical SMILES for 1-[2-(3-fluoro-1-methylazetidin-3-yl)ethyl]-4-methylpiperidine is CC1CCN(CCC2(F)CN(C)C2)CC1.
What is the InChIKey of 1-[2-(3-fluoro-1-methylazetidin-3-yl)ethyl]-4-methylpiperidine?
The InChIKey is COYWEWTXPMWAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2/c1-11-3-6-15(7-4-11)8-5-12(13)9-14(2)10-12/h11H,3-10H2,1-2H3.
What are the key properties of 1-[2-(3-fluoro-1-methylazetidin-3-yl)ethyl]-4-methylpiperidine?
1-[2-(3-fluoro-1-methylazetidin-3-yl)ethyl]-4-methylpiperidine has a molecular weight of 214.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-1-methylazetidin-3-yl)ethyl]-4-methylpiperidine is sourced from PubChem (CID 166536782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).