(3S)-3-ethyl-1-[2-(3-fluoroazetidin-1-yl)ethyl]piperidine

C12H23FN2 — CID 66580897

IUPAC(3S)-3-ethyl-1-[2-(3-fluoroazetidin-1-yl)ethyl]piperidine
SMILESCC[C@H]1CCCN(CCN2CC(F)C2)C1
InChIInChI=1S/C12H23FN2/c1-2-11-4-3-5-14(8-11)6-7-15-9-12(13)10-15/h11-12H,2-10H2,1H3/t11-/m0/s1
InChIKeyDQQWAYMAXBGPIC-NSHDSACASA-N
MW214.33 g/mol
LogP1.76
Rot. Bonds4

About (3S)-3-ethyl-1-[2-(3-fluoroazetidin-1-yl)ethyl]piperidine

(3S)-3-ethyl-1-[2-(3-fluoroazetidin-1-yl)ethyl]piperidine (PubChem CID 66580897) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is (3S)-3-ethyl-1-[2-(3-fluoroazetidin-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name(3S)-3-ethyl-1-[2-(3-fluoroazetidin-1-yl)ethyl]piperidine
PubChem CID66580897
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Name(3S)-3-ethyl-1-[2-(3-fluoroazetidin-1-yl)ethyl]piperidine
SMILESCC[C@H]1CCCN(CCN2CC(F)C2)C1
InChIInChI=1S/C12H23FN2/c1-2-11-4-3-5-14(8-11)6-7-15-9-12(13)10-15/h11-12H,2-10H2,1H3/t11-/m0/s1
InChIKeyDQQWAYMAXBGPIC-NSHDSACASA-N
XLogP1.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-1-[2-(3-fluoroazetidin-1-yl)ethyl]piperidine?
The IUPAC name of (3S)-3-ethyl-1-[2-(3-fluoroazetidin-1-yl)ethyl]piperidine (CID 66580897) is (3S)-3-ethyl-1-[2-(3-fluoroazetidin-1-yl)ethyl]piperidine.
What is the SMILES notation for (3S)-3-ethyl-1-[2-(3-fluoroazetidin-1-yl)ethyl]piperidine?
The canonical SMILES for (3S)-3-ethyl-1-[2-(3-fluoroazetidin-1-yl)ethyl]piperidine is CC[C@H]1CCCN(CCN2CC(F)C2)C1.
What is the InChIKey of (3S)-3-ethyl-1-[2-(3-fluoroazetidin-1-yl)ethyl]piperidine?
The InChIKey is DQQWAYMAXBGPIC-NSHDSACASA-N. The full InChI is InChI=1S/C12H23FN2/c1-2-11-4-3-5-14(8-11)6-7-15-9-12(13)10-15/h11-12H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-3-ethyl-1-[2-(3-fluoroazetidin-1-yl)ethyl]piperidine?
(3S)-3-ethyl-1-[2-(3-fluoroazetidin-1-yl)ethyl]piperidine has a molecular weight of 214.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-1-[2-(3-fluoroazetidin-1-yl)ethyl]piperidine is sourced from PubChem (CID 66580897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).