[4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxan-4-yl]-(4-hydroxypiperidin-1-yl)methanone

C25H30FNO4 — CID 110082584

IUPAC[4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxan-4-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCOc1ccc(F)cc1-c1ccc(CC2(C(=O)N3CCC(O)CC3)CCOCC2)cc1
InChIInChI=1S/C25H30FNO4/c1-30-23-7-6-20(26)16-22(23)19-4-2-18(3-5-19)17-25(10-14-31-15-11-25)24(29)27-12-8-21(28)9-13-27/h2-7,16,21,28H,8-15,17H2,1H3
InChIKeyYHKDRJGIKHIUJW-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.82
Rot. Bonds5

About [4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxan-4-yl]-(4-hydroxypiperidin-1-yl)methanone

[4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxan-4-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 110082584) has the molecular formula C25H30FNO4 and a molecular weight of 427.52 g/mol. Its IUPAC name is [4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxan-4-yl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxan-4-yl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID110082584
Molecular FormulaC25H30FNO4
Molecular Weight427.52 g/mol
Exact Mass427.22
IUPAC Name[4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxan-4-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCOc1ccc(F)cc1-c1ccc(CC2(C(=O)N3CCC(O)CC3)CCOCC2)cc1
InChIInChI=1S/C25H30FNO4/c1-30-23-7-6-20(26)16-22(23)19-4-2-18(3-5-19)17-25(10-14-31-15-11-25)24(29)27-12-8-21(28)9-13-27/h2-7,16,21,28H,8-15,17H2,1H3
InChIKeyYHKDRJGIKHIUJW-UHFFFAOYSA-N
XLogP3.82
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxan-4-yl]-(4-hydroxypiperidin-1-yl)methanone with MolForge

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Related Compounds

4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2S)-2-hydroxypropyl]oxane-4-carboxamide
CID 124974447
4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2R)-2-hydroxypropyl]oxane-4-carboxamide
CID 124974448
N-(2-acetamidoethyl)-4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 155983023
4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide
CID 132766427
4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(2-piperidin-1-ylsulfonylethyl)oxane-4-carboxamide
CID 110075926
N-cyclopentyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 129458761
N-[2-(cyclohexen-1-yl)ethyl]-4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 129453770
N-ethyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 110082361
N-[(2S)-butan-2-yl]-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 124938836
methyl 1-[4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carbonyl]piperidine-4-carboxylate
CID 110082822
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 129456443
4-[4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine
CID 131890518

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxan-4-yl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxan-4-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 110082584) is [4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxan-4-yl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxan-4-yl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxan-4-yl]-(4-hydroxypiperidin-1-yl)methanone is COc1ccc(F)cc1-c1ccc(CC2(C(=O)N3CCC(O)CC3)CCOCC2)cc1.
What is the InChIKey of [4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxan-4-yl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is YHKDRJGIKHIUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FNO4/c1-30-23-7-6-20(26)16-22(23)19-4-2-18(3-5-19)17-25(10-14-31-15-11-25)24(29)27-12-8-21(28)9-13-27/h2-7,16,21,28H,8-15,17H2,1H3.
What are the key properties of [4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxan-4-yl]-(4-hydroxypiperidin-1-yl)methanone?
[4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxan-4-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 427.52 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxan-4-yl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 110082584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).