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

C12H22F2N2 — CID 66580738

IUPAC(3S)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-ethylpiperidine
SMILESCC[C@H]1CCCN(CCN2CC(F)(F)C2)C1
InChIInChI=1S/C12H22F2N2/c1-2-11-4-3-5-15(8-11)6-7-16-9-12(13,14)10-16/h11H,2-10H2,1H3/t11-/m0/s1
InChIKeyXKACDTACAVONBU-NSHDSACASA-N
MW232.32 g/mol
LogP2.06
Rot. Bonds4

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

(3S)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-ethylpiperidine (PubChem CID 66580738) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (3S)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-ethylpiperidine.

Molecular Properties

Compound Name(3S)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-ethylpiperidine
PubChem CID66580738
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name(3S)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-ethylpiperidine
SMILESCC[C@H]1CCCN(CCN2CC(F)(F)C2)C1
InChIInChI=1S/C12H22F2N2/c1-2-11-4-3-5-15(8-11)6-7-16-9-12(13,14)10-16/h11H,2-10H2,1H3/t11-/m0/s1
InChIKeyXKACDTACAVONBU-NSHDSACASA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-ethylpiperidine?
The IUPAC name of (3S)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-ethylpiperidine (CID 66580738) is (3S)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-ethylpiperidine.
What is the SMILES notation for (3S)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-ethylpiperidine?
The canonical SMILES for (3S)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-ethylpiperidine is CC[C@H]1CCCN(CCN2CC(F)(F)C2)C1.
What is the InChIKey of (3S)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-ethylpiperidine?
The InChIKey is XKACDTACAVONBU-NSHDSACASA-N. The full InChI is InChI=1S/C12H22F2N2/c1-2-11-4-3-5-15(8-11)6-7-16-9-12(13,14)10-16/h11H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-ethylpiperidine?
(3S)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-ethylpiperidine has a molecular weight of 232.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3-ethylpiperidine is sourced from PubChem (CID 66580738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).