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

C11H20F2N2 — CID 66580872

IUPAC(3R)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine
SMILESC[C@@H]1CCCN(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/t10-/m1/s1
InChIKeyZKBMYFAFUMFZBR-SNVBAGLBSA-N
MW218.29 g/mol
LogP1.67
Rot. Bonds3

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

(3R)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine (PubChem CID 66580872) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is (3R)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine.

Molecular Properties

Compound Name(3R)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine
PubChem CID66580872
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name(3R)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine
SMILESC[C@@H]1CCCN(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/t10-/m1/s1
InChIKeyZKBMYFAFUMFZBR-SNVBAGLBSA-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 (3R)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine?
The IUPAC name of (3R)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine (CID 66580872) is (3R)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine.
What is the SMILES notation for (3R)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine?
The canonical SMILES for (3R)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine is C[C@@H]1CCCN(CCN2CC(F)(F)C2)C1.
What is the InChIKey of (3R)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine?
The InChIKey is ZKBMYFAFUMFZBR-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of (3R)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine?
(3R)-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 (3R)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-methylpiperidine is sourced from PubChem (CID 66580872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).