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

C22H25F2NO2 — CID 53150623

IUPAC2-(3-fluorophenyl)-1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C22H25F2NO2/c23-20-5-1-3-18(13-20)15-22(26)25-10-7-17(8-11-25)9-12-27-16-19-4-2-6-21(24)14-19/h1-6,13-14,17H,7-12,15-16H2
InChIKeyCXRILLHEDIPLRO-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.35
Rot. Bonds7

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

2-(3-fluorophenyl)-1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone (PubChem CID 53150623) has the molecular formula C22H25F2NO2 and a molecular weight of 373.44 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone
PubChem CID53150623
Molecular FormulaC22H25F2NO2
Molecular Weight373.44 g/mol
Exact Mass373.19
IUPAC Name2-(3-fluorophenyl)-1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C22H25F2NO2/c23-20-5-1-3-18(13-20)15-22(26)25-10-7-17(8-11-25)9-12-27-16-19-4-2-6-21(24)14-19/h1-6,13-14,17H,7-12,15-16H2
InChIKeyCXRILLHEDIPLRO-UHFFFAOYSA-N
XLogP4.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone (CID 53150623) is 2-(3-fluorophenyl)-1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone is O=C(Cc1cccc(F)c1)N1CCC(CCOCc2cccc(F)c2)CC1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone?
The InChIKey is CXRILLHEDIPLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2NO2/c23-20-5-1-3-18(13-20)15-22(26)25-10-7-17(8-11-25)9-12-27-16-19-4-2-6-21(24)14-19/h1-6,13-14,17H,7-12,15-16H2.
What are the key properties of 2-(3-fluorophenyl)-1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone has a molecular weight of 373.44 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53150623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).