1-[(4R)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-hydroxyethanone

C10H18FNO3 — CID 139353845

IUPAC1-[(4R)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-hydroxyethanone
SMILESCO[C@H]1C(F)CN(C(=O)CO)CC1(C)C
InChIInChI=1S/C10H18FNO3/c1-10(2)6-12(8(14)5-13)4-7(11)9(10)15-3/h7,9,13H,4-6H2,1-3H3/t7?,9-/m0/s1
InChIKeyOOGVUPJKDROMOJ-NETXQHHPSA-N
MW219.26 g/mol
LogP0.20
Rot. Bonds2

About 1-[(4R)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-hydroxyethanone

1-[(4R)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-hydroxyethanone (PubChem CID 139353845) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-[(4R)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[(4R)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-hydroxyethanone
PubChem CID139353845
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Name1-[(4R)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-hydroxyethanone
SMILESCO[C@H]1C(F)CN(C(=O)CO)CC1(C)C
InChIInChI=1S/C10H18FNO3/c1-10(2)6-12(8(14)5-13)4-7(11)9(10)15-3/h7,9,13H,4-6H2,1-3H3/t7?,9-/m0/s1
InChIKeyOOGVUPJKDROMOJ-NETXQHHPSA-N
XLogP0.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[(4R)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-hydroxyethanone (CID 139353845) is 1-[(4R)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[(4R)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[(4R)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-hydroxyethanone is CO[C@H]1C(F)CN(C(=O)CO)CC1(C)C.
What is the InChIKey of 1-[(4R)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-hydroxyethanone?
The InChIKey is OOGVUPJKDROMOJ-NETXQHHPSA-N. The full InChI is InChI=1S/C10H18FNO3/c1-10(2)6-12(8(14)5-13)4-7(11)9(10)15-3/h7,9,13H,4-6H2,1-3H3/t7?,9-/m0/s1.
What are the key properties of 1-[(4R)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-hydroxyethanone?
1-[(4R)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-hydroxyethanone has a molecular weight of 219.26 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 139353845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).