1-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone

C20H21F2NO2 — CID 46029061

IUPAC1-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCCC(OCc2cc(F)ccc2F)C1
InChIInChI=1S/C20H21F2NO2/c21-17-8-9-19(22)16(12-17)14-25-18-7-4-10-23(13-18)20(24)11-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,18H,4,7,10-11,13-14H2
InChIKeySCQXLJSNGWEDMU-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.72
Rot. Bonds5

About 1-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone

1-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone (PubChem CID 46029061) has the molecular formula C20H21F2NO2 and a molecular weight of 345.39 g/mol. Its IUPAC name is 1-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
PubChem CID46029061
Molecular FormulaC20H21F2NO2
Molecular Weight345.39 g/mol
Exact Mass345.15
IUPAC Name1-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCCC(OCc2cc(F)ccc2F)C1
InChIInChI=1S/C20H21F2NO2/c21-17-8-9-19(22)16(12-17)14-25-18-7-4-10-23(13-18)20(24)11-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,18H,4,7,10-11,13-14H2
InChIKeySCQXLJSNGWEDMU-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 20395
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CID 44444643
2-Fluorobenzyl 2-[(2-phenylacetyl)amino]acetate
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CID 9980795
N-(3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-propyl)-2-phenyl-acetamide
CID 10575012
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-phenethyl-piperazin-2-one
CID 10575547
N-(2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-ethyl)-2-phenyl-acetamide
CID 10788455
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide
CID 2969719
(2-Fluorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 4963714
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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone (CID 46029061) is 1-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCCC(OCc2cc(F)ccc2F)C1.
What is the InChIKey of 1-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone?
The InChIKey is SCQXLJSNGWEDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO2/c21-17-8-9-19(22)16(12-17)14-25-18-7-4-10-23(13-18)20(24)11-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,18H,4,7,10-11,13-14H2.
What are the key properties of 1-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone?
1-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone has a molecular weight of 345.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 46029061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).