1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine

C11H20F2N2 — CID 77147837

IUPAC1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine
SMILESCC1CCCN(CCN2CC(F)(F)C2)C1
InChIInChI=1S/C11H20F2N2/c1-10-3-2-4-14(7-10)5-6-15-8-11(12,13)9-15/h10H,2-9H2,1H3
InChIKeyZKBMYFAFUMFZBR-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.67
Rot. Bonds3

About 1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine

1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine (PubChem CID 77147837) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is 1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine
PubChem CID77147837
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine
SMILESCC1CCCN(CCN2CC(F)(F)C2)C1
InChIInChI=1S/C11H20F2N2/c1-10-3-2-4-14(7-10)5-6-15-8-11(12,13)9-15/h10H,2-9H2,1H3
InChIKeyZKBMYFAFUMFZBR-UHFFFAOYSA-N
XLogP1.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine?
The IUPAC name of 1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine (CID 77147837) is 1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine.
What is the SMILES notation for 1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine?
The canonical SMILES for 1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine is CC1CCCN(CCN2CC(F)(F)C2)C1.
What is the InChIKey of 1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine?
The InChIKey is ZKBMYFAFUMFZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2/c1-10-3-2-4-14(7-10)5-6-15-8-11(12,13)9-15/h10H,2-9H2,1H3.
What are the key properties of 1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine?
1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine has a molecular weight of 218.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine is sourced from PubChem (CID 77147837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).