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

C10H18FNO2 — CID 121265294

IUPAC(3R,4S)-3-fluoro-4-methoxy-1-(oxolan-3-yl)piperidine
SMILESCO[C@H]1CCN(C2CCOC2)C[C@H]1F
InChIInChI=1S/C10H18FNO2/c1-13-10-2-4-12(6-9(10)11)8-3-5-14-7-8/h8-10H,2-7H2,1H3/t8?,9-,10+/m1/s1
InChIKeyCASYRQFRCGJHBC-XVBQNVSMSA-N
MW203.26 g/mol
LogP0.83
Rot. Bonds2

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

(3R,4S)-3-fluoro-4-methoxy-1-(oxolan-3-yl)piperidine (PubChem CID 121265294) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-4-methoxy-1-(oxolan-3-yl)piperidine.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-4-methoxy-1-(oxolan-3-yl)piperidine
PubChem CID121265294
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name(3R,4S)-3-fluoro-4-methoxy-1-(oxolan-3-yl)piperidine
SMILESCO[C@H]1CCN(C2CCOC2)C[C@H]1F
InChIInChI=1S/C10H18FNO2/c1-13-10-2-4-12(6-9(10)11)8-3-5-14-7-8/h8-10H,2-7H2,1H3/t8?,9-,10+/m1/s1
InChIKeyCASYRQFRCGJHBC-XVBQNVSMSA-N
XLogP0.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.83
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-(oxolan-3-yl)piperidine?
The IUPAC name of (3R,4S)-3-fluoro-4-methoxy-1-(oxolan-3-yl)piperidine (CID 121265294) is (3R,4S)-3-fluoro-4-methoxy-1-(oxolan-3-yl)piperidine.
What is the SMILES notation for (3R,4S)-3-fluoro-4-methoxy-1-(oxolan-3-yl)piperidine?
The canonical SMILES for (3R,4S)-3-fluoro-4-methoxy-1-(oxolan-3-yl)piperidine is CO[C@H]1CCN(C2CCOC2)C[C@H]1F.
What is the InChIKey of (3R,4S)-3-fluoro-4-methoxy-1-(oxolan-3-yl)piperidine?
The InChIKey is CASYRQFRCGJHBC-XVBQNVSMSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-13-10-2-4-12(6-9(10)11)8-3-5-14-7-8/h8-10H,2-7H2,1H3/t8?,9-,10+/m1/s1.
What are the key properties of (3R,4S)-3-fluoro-4-methoxy-1-(oxolan-3-yl)piperidine?
(3R,4S)-3-fluoro-4-methoxy-1-(oxolan-3-yl)piperidine has a molecular weight of 203.26 g/mol, XLogP of 0.83, 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-(oxolan-3-yl)piperidine is sourced from PubChem (CID 121265294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).