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

C9H16FNO2 — CID 121265270

IUPAC(3R,4S)-3-fluoro-4-methoxy-1-(oxetan-3-yl)piperidine
SMILESCO[C@H]1CCN(C2COC2)C[C@H]1F
InChIInChI=1S/C9H16FNO2/c1-12-9-2-3-11(4-8(9)10)7-5-13-6-7/h7-9H,2-6H2,1H3/t8-,9+/m1/s1
InChIKeyWALMWQZLBHXCET-BDAKNGLRSA-N
MW189.23 g/mol
LogP0.44
Rot. Bonds2

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

(3R,4S)-3-fluoro-4-methoxy-1-(oxetan-3-yl)piperidine (PubChem CID 121265270) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-4-methoxy-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-4-methoxy-1-(oxetan-3-yl)piperidine
PubChem CID121265270
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name(3R,4S)-3-fluoro-4-methoxy-1-(oxetan-3-yl)piperidine
SMILESCO[C@H]1CCN(C2COC2)C[C@H]1F
InChIInChI=1S/C9H16FNO2/c1-12-9-2-3-11(4-8(9)10)7-5-13-6-7/h7-9H,2-6H2,1H3/t8-,9+/m1/s1
InChIKeyWALMWQZLBHXCET-BDAKNGLRSA-N
XLogP0.44
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoro-4-methoxy-1-(oxetan-3-yl)piperidine?
The IUPAC name of (3R,4S)-3-fluoro-4-methoxy-1-(oxetan-3-yl)piperidine (CID 121265270) is (3R,4S)-3-fluoro-4-methoxy-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for (3R,4S)-3-fluoro-4-methoxy-1-(oxetan-3-yl)piperidine?
The canonical SMILES for (3R,4S)-3-fluoro-4-methoxy-1-(oxetan-3-yl)piperidine is CO[C@H]1CCN(C2COC2)C[C@H]1F.
What is the InChIKey of (3R,4S)-3-fluoro-4-methoxy-1-(oxetan-3-yl)piperidine?
The InChIKey is WALMWQZLBHXCET-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-12-9-2-3-11(4-8(9)10)7-5-13-6-7/h7-9H,2-6H2,1H3/t8-,9+/m1/s1.
What are the key properties of (3R,4S)-3-fluoro-4-methoxy-1-(oxetan-3-yl)piperidine?
(3R,4S)-3-fluoro-4-methoxy-1-(oxetan-3-yl)piperidine has a molecular weight of 189.23 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-4-methoxy-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 121265270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).