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

C11H21FN2 — CID 166536816

IUPAC1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperidine
SMILESCC1CCN(CC2(F)CN(C)C2)CC1
InChIInChI=1S/C11H21FN2/c1-10-3-5-14(6-4-10)9-11(12)7-13(2)8-11/h10H,3-9H2,1-2H3
InChIKeyWGCJIOCZLQGBOW-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.37
Rot. Bonds2

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

1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperidine (PubChem CID 166536816) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperidine
PubChem CID166536816
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperidine
SMILESCC1CCN(CC2(F)CN(C)C2)CC1
InChIInChI=1S/C11H21FN2/c1-10-3-5-14(6-4-10)9-11(12)7-13(2)8-11/h10H,3-9H2,1-2H3
InChIKeyWGCJIOCZLQGBOW-UHFFFAOYSA-N
XLogP1.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperidine?
The IUPAC name of 1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperidine (CID 166536816) is 1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperidine?
The canonical SMILES for 1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperidine is CC1CCN(CC2(F)CN(C)C2)CC1.
What is the InChIKey of 1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperidine?
The InChIKey is WGCJIOCZLQGBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c1-10-3-5-14(6-4-10)9-11(12)7-13(2)8-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperidine?
1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperidine has a molecular weight of 200.30 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperidine is sourced from PubChem (CID 166536816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).