1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone

C10H18FNO2 — CID 121261798

IUPAC1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](OC(C)C)[C@H](F)C1
InChIInChI=1S/C10H18FNO2/c1-7(2)14-10-4-5-12(8(3)13)6-9(10)11/h7,9-10H,4-6H2,1-3H3/t9-,10+/m1/s1
InChIKeyRVKBASVHCVKMCE-ZJUUUORDSA-N
MW203.26 g/mol
LogP1.37
Rot. Bonds2

About 1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone

1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone (PubChem CID 121261798) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone
PubChem CID121261798
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](OC(C)C)[C@H](F)C1
InChIInChI=1S/C10H18FNO2/c1-7(2)14-10-4-5-12(8(3)13)6-9(10)11/h7,9-10H,4-6H2,1-3H3/t9-,10+/m1/s1
InChIKeyRVKBASVHCVKMCE-ZJUUUORDSA-N
XLogP1.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-(18F)fluoroethyl)piperidin-4-yl] acetate
CID 450034
[1-(2-Fluoroethyl)piperidin-4-yl] acetate
CID 10081206
1-(4-Fluoropiperidin-1-yl)-3-methoxypropan-1-one
CID 172438550
1-Acetylpiperidin-4-YL acetate
CID 20644464
2,2,2-Trifluoro-1-(cis-3-fluoro-4-methoxypiperidin-1-yl)ethan-1-one
CID 134827899
2,2,2-Trifluoro-1-(4-methoxypiperidin-1-yl)ethanone
CID 58896716
1-(4-Ethoxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 62726538
1-[4-(2,2,2-Trifluoroethoxy)piperidin-1-yl]ethanone
CID 68211716
2,2,2-Trifluoro-1-(4-propan-2-yloxypiperidin-1-yl)ethanone
CID 88915727
2,2-Difluoro-1-(4-methoxypiperidin-1-yl)ethanone
CID 103514742
2,2-Difluoro-1-(4-propan-2-yloxypiperidin-1-yl)ethanone
CID 118551852
1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone
CID 118552153

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone (CID 121261798) is 1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone is CC(=O)N1CC[C@H](OC(C)C)[C@H](F)C1.
What is the InChIKey of 1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone?
The InChIKey is RVKBASVHCVKMCE-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-7(2)14-10-4-5-12(8(3)13)6-9(10)11/h7,9-10H,4-6H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of 1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone?
1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone has a molecular weight of 203.26 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone is sourced from PubChem (CID 121261798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).