2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone

C14H18FNO2 — CID 829809

IUPAC2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
SMILESC[C@H]1CCCN(C(=O)COc2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO2/c1-11-3-2-8-16(9-11)14(17)10-18-13-6-4-12(15)5-7-13/h4-7,11H,2-3,8-10H2,1H3/t11-/m0/s1
InChIKeyCSESJFLMUZUTOW-NSHDSACASA-N
MW251.30 g/mol
LogP2.46
Rot. Bonds3

About 2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone

2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone (PubChem CID 829809) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
PubChem CID829809
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
SMILESC[C@H]1CCCN(C(=O)COc2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO2/c1-11-3-2-8-16(9-11)14(17)10-18-13-6-4-12(15)5-7-13/h4-7,11H,2-3,8-10H2,1H3/t11-/m0/s1
InChIKeyCSESJFLMUZUTOW-NSHDSACASA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 28689718
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
methyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate
CID 78918965
methyl 4-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 60624261
2-(4-fluorophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62371982
1-(3,4-dimethylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 110707653
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
2-(4-fluorophenoxy)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94527179
2-(4-fluorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66291676
1-[3-(4-fluorophenyl)azepan-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 90608786
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 5017264

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone (CID 829809) is 2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone is C[C@H]1CCCN(C(=O)COc2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The InChIKey is CSESJFLMUZUTOW-NSHDSACASA-N. The full InChI is InChI=1S/C14H18FNO2/c1-11-3-2-8-16(9-11)14(17)10-18-13-6-4-12(15)5-7-13/h4-7,11H,2-3,8-10H2,1H3/t11-/m0/s1.
What are the key properties of 2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone has a molecular weight of 251.30 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 829809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).