1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-methoxyethanone

C17H24FNO3 — CID 53150642

IUPAC1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C17H24FNO3/c1-21-13-17(20)19-8-5-14(6-9-19)7-10-22-12-15-3-2-4-16(18)11-15/h2-4,11,14H,5-10,12-13H2,1H3
InChIKeyRHTXZKLSIYGMRT-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.62
Rot. Bonds7

About 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-methoxyethanone

1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 53150642) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-methoxyethanone
PubChem CID53150642
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C17H24FNO3/c1-21-13-17(20)19-8-5-14(6-9-19)7-10-22-12-15-3-2-4-16(18)11-15/h2-4,11,14H,5-10,12-13H2,1H3
InChIKeyRHTXZKLSIYGMRT-UHFFFAOYSA-N
XLogP2.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
CID 53150657
[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 53037950
1-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone
CID 95200233
1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone
CID 56743313
1-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 53150603
2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone
CID 91907818
1-[2-[(3-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methoxyethanone
CID 131656654
2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151002
1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone
CID 124952778
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 119736878
2-methoxy-1-[(3R)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 93223657
2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 93223656

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-methoxyethanone (CID 53150642) is 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(CCOCc2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is RHTXZKLSIYGMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-21-13-17(20)19-8-5-14(6-9-19)7-10-22-12-15-3-2-4-16(18)11-15/h2-4,11,14H,5-10,12-13H2,1H3.
What are the key properties of 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-methoxyethanone?
1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 309.38 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 53150642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).