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

C8H14FNO3 — CID 121246753

IUPAC1-[(3S,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone
SMILESCO[C@H]1CCN(C(=O)CO)C[C@@H]1F
InChIInChI=1S/C8H14FNO3/c1-13-7-2-3-10(4-6(7)9)8(12)5-11/h6-7,11H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyZVZBREZLUMVQOS-BQBZGAKWSA-N
MW191.20 g/mol
LogP-0.44
Rot. Bonds2

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

1-[(3S,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone (PubChem CID 121246753) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is 1-[(3S,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[(3S,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone
PubChem CID121246753
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Name1-[(3S,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone
SMILESCO[C@H]1CCN(C(=O)CO)C[C@@H]1F
InChIInChI=1S/C8H14FNO3/c1-13-7-2-3-10(4-6(7)9)8(12)5-11/h6-7,11H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyZVZBREZLUMVQOS-BQBZGAKWSA-N
XLogP-0.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[(3S,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone (CID 121246753) is 1-[(3S,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[(3S,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[(3S,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone is CO[C@H]1CCN(C(=O)CO)C[C@@H]1F.
What is the InChIKey of 1-[(3S,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone?
The InChIKey is ZVZBREZLUMVQOS-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H14FNO3/c1-13-7-2-3-10(4-6(7)9)8(12)5-11/h6-7,11H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of 1-[(3S,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone?
1-[(3S,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone has a molecular weight of 191.20 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 121246753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).