4-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine

C13H24F2N2 — CID 134505423

IUPAC4-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(C)(CN2CC(F)(F)C2)CC1
InChIInChI=1S/C13H24F2N2/c1-11(2)17-6-4-12(3,5-7-17)8-16-9-13(14,15)10-16/h11H,4-10H2,1-3H3
InChIKeyZZQQNAGLOKXSJU-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.45
Rot. Bonds3

About 4-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine

4-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine (PubChem CID 134505423) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine
PubChem CID134505423
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Name4-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(C)(CN2CC(F)(F)C2)CC1
InChIInChI=1S/C13H24F2N2/c1-11(2)17-6-4-12(3,5-7-17)8-16-9-13(14,15)10-16/h11H,4-10H2,1-3H3
InChIKeyZZQQNAGLOKXSJU-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine?
The IUPAC name of 4-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine (CID 134505423) is 4-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine is CC(C)N1CCC(C)(CN2CC(F)(F)C2)CC1.
What is the InChIKey of 4-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine?
The InChIKey is ZZQQNAGLOKXSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2/c1-11(2)17-6-4-12(3,5-7-17)8-16-9-13(14,15)10-16/h11H,4-10H2,1-3H3.
What are the key properties of 4-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine?
4-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine has a molecular weight of 246.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 134505423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).