4-[(3,3-difluoroazetidin-1-yl)methyl]-1,4-dimethylpiperidine;ethane

C13H26F2N2 — CID 142327084

IUPAC4-[(3,3-difluoroazetidin-1-yl)methyl]-1,4-dimethylpiperidine;ethane
SMILESCC.CN1CCC(C)(CN2CC(F)(F)C2)CC1
InChIInChI=1S/C11H20F2N2.C2H6/c1-10(3-5-14(2)6-4-10)7-15-8-11(12,13)9-15;1-2/h3-9H2,1-2H3;1-2H3
InChIKeyRYXCHFLBPXOROQ-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.70
Rot. Bonds2

About 4-[(3,3-difluoroazetidin-1-yl)methyl]-1,4-dimethylpiperidine;ethane

4-[(3,3-difluoroazetidin-1-yl)methyl]-1,4-dimethylpiperidine;ethane (PubChem CID 142327084) has the molecular formula C13H26F2N2 and a molecular weight of 248.36 g/mol. Its IUPAC name is 4-[(3,3-difluoroazetidin-1-yl)methyl]-1,4-dimethylpiperidine;ethane.

Molecular Properties

Compound Name4-[(3,3-difluoroazetidin-1-yl)methyl]-1,4-dimethylpiperidine;ethane
PubChem CID142327084
Molecular FormulaC13H26F2N2
Molecular Weight248.36 g/mol
Exact Mass248.21
IUPAC Name4-[(3,3-difluoroazetidin-1-yl)methyl]-1,4-dimethylpiperidine;ethane
SMILESCC.CN1CCC(C)(CN2CC(F)(F)C2)CC1
InChIInChI=1S/C11H20F2N2.C2H6/c1-10(3-5-14(2)6-4-10)7-15-8-11(12,13)9-15;1-2/h3-9H2,1-2H3;1-2H3
InChIKeyRYXCHFLBPXOROQ-UHFFFAOYSA-N
XLogP2.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.70
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]-1,4-dimethylpiperidine;ethane?
The IUPAC name of 4-[(3,3-difluoroazetidin-1-yl)methyl]-1,4-dimethylpiperidine;ethane (CID 142327084) is 4-[(3,3-difluoroazetidin-1-yl)methyl]-1,4-dimethylpiperidine;ethane.
What is the SMILES notation for 4-[(3,3-difluoroazetidin-1-yl)methyl]-1,4-dimethylpiperidine;ethane?
The canonical SMILES for 4-[(3,3-difluoroazetidin-1-yl)methyl]-1,4-dimethylpiperidine;ethane is CC.CN1CCC(C)(CN2CC(F)(F)C2)CC1.
What is the InChIKey of 4-[(3,3-difluoroazetidin-1-yl)methyl]-1,4-dimethylpiperidine;ethane?
The InChIKey is RYXCHFLBPXOROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2.C2H6/c1-10(3-5-14(2)6-4-10)7-15-8-11(12,13)9-15;1-2/h3-9H2,1-2H3;1-2H3.
What are the key properties of 4-[(3,3-difluoroazetidin-1-yl)methyl]-1,4-dimethylpiperidine;ethane?
4-[(3,3-difluoroazetidin-1-yl)methyl]-1,4-dimethylpiperidine;ethane has a molecular weight of 248.36 g/mol, XLogP of 2.70, 2 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]-1,4-dimethylpiperidine;ethane is sourced from PubChem (CID 142327084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).