1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-methoxyethanone

C9H16FNO3 — CID 129260773

IUPAC1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CC[C@H](OC)[C@H](F)C1
InChIInChI=1S/C9H16FNO3/c1-13-6-9(12)11-4-3-8(14-2)7(10)5-11/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyXDRFKESAHDLUIA-SFYZADRCSA-N
MW205.23 g/mol
LogP0.22
Rot. Bonds3

About 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-methoxyethanone

1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-methoxyethanone (PubChem CID 129260773) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-methoxyethanone
PubChem CID129260773
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CC[C@H](OC)[C@H](F)C1
InChIInChI=1S/C9H16FNO3/c1-13-6-9(12)11-4-3-8(14-2)7(10)5-11/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyXDRFKESAHDLUIA-SFYZADRCSA-N
XLogP0.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-methoxyethanone (CID 129260773) is 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CC[C@H](OC)[C@H](F)C1.
What is the InChIKey of 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-methoxyethanone?
The InChIKey is XDRFKESAHDLUIA-SFYZADRCSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-13-6-9(12)11-4-3-8(14-2)7(10)5-11/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-methoxyethanone?
1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-methoxyethanone has a molecular weight of 205.23 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 129260773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).