2-(4-fluorophenyl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone

C16H22FNO2 — CID 110725389

IUPAC2-(4-fluorophenyl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone
SMILESCC(C)OC1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO2/c1-12(2)20-15-7-9-18(10-8-15)16(19)11-13-3-5-14(17)6-4-13/h3-6,12,15H,7-11H2,1-2H3
InChIKeyKQRKTXNEQXOYRA-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.78
Rot. Bonds4

About 2-(4-fluorophenyl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone

2-(4-fluorophenyl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone (PubChem CID 110725389) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone
PubChem CID110725389
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name2-(4-fluorophenyl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone
SMILESCC(C)OC1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO2/c1-12(2)20-15-7-9-18(10-8-15)16(19)11-13-3-5-14(17)6-4-13/h3-6,12,15H,7-11H2,1-2H3
InChIKeyKQRKTXNEQXOYRA-UHFFFAOYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 121197382
1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110365702
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone;hydrochloride
CID 119261256
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
CID 110396939
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide
CID 110820768
lithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 21304004
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate
CID 110365716
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 121160857
2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868488
2-(4-fluorophenyl)-1-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]ethanone
CID 113077726
2-(4-fluorophenyl)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 90639141

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone (CID 110725389) is 2-(4-fluorophenyl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone is CC(C)OC1CCN(C(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone?
The InChIKey is KQRKTXNEQXOYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-12(2)20-15-7-9-18(10-8-15)16(19)11-13-3-5-14(17)6-4-13/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone?
2-(4-fluorophenyl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone has a molecular weight of 279.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 110725389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).