(3R,4S)-4-ethyl-3-fluoro-1-(oxetan-3-yl)piperidine

C10H18FNO — CID 166913117

IUPAC(3R,4S)-4-ethyl-3-fluoro-1-(oxetan-3-yl)piperidine
SMILESCC[C@H]1CCN(C2COC2)C[C@@H]1F
InChIInChI=1S/C10H18FNO/c1-2-8-3-4-12(5-10(8)11)9-6-13-7-9/h8-10H,2-7H2,1H3/t8-,10-/m0/s1
InChIKeyCYVSBRNEXHKRPM-WPRPVWTQSA-N
MW187.26 g/mol
LogP1.46
Rot. Bonds2

About (3R,4S)-4-ethyl-3-fluoro-1-(oxetan-3-yl)piperidine

(3R,4S)-4-ethyl-3-fluoro-1-(oxetan-3-yl)piperidine (PubChem CID 166913117) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (3R,4S)-4-ethyl-3-fluoro-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name(3R,4S)-4-ethyl-3-fluoro-1-(oxetan-3-yl)piperidine
PubChem CID166913117
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(3R,4S)-4-ethyl-3-fluoro-1-(oxetan-3-yl)piperidine
SMILESCC[C@H]1CCN(C2COC2)C[C@@H]1F
InChIInChI=1S/C10H18FNO/c1-2-8-3-4-12(5-10(8)11)9-6-13-7-9/h8-10H,2-7H2,1H3/t8-,10-/m0/s1
InChIKeyCYVSBRNEXHKRPM-WPRPVWTQSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,4S)-4-ethyl-3-fluoro-1-(oxetan-3-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-ethyl-3-fluoro-1-(oxetan-3-yl)piperidine?
The IUPAC name of (3R,4S)-4-ethyl-3-fluoro-1-(oxetan-3-yl)piperidine (CID 166913117) is (3R,4S)-4-ethyl-3-fluoro-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for (3R,4S)-4-ethyl-3-fluoro-1-(oxetan-3-yl)piperidine?
The canonical SMILES for (3R,4S)-4-ethyl-3-fluoro-1-(oxetan-3-yl)piperidine is CC[C@H]1CCN(C2COC2)C[C@@H]1F.
What is the InChIKey of (3R,4S)-4-ethyl-3-fluoro-1-(oxetan-3-yl)piperidine?
The InChIKey is CYVSBRNEXHKRPM-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H18FNO/c1-2-8-3-4-12(5-10(8)11)9-6-13-7-9/h8-10H,2-7H2,1H3/t8-,10-/m0/s1.
What are the key properties of (3R,4S)-4-ethyl-3-fluoro-1-(oxetan-3-yl)piperidine?
(3R,4S)-4-ethyl-3-fluoro-1-(oxetan-3-yl)piperidine has a molecular weight of 187.26 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-ethyl-3-fluoro-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 166913117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).