[1-(2-ethenylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone

C21H23NO2 — CID 174249291

IUPAC[1-(2-ethenylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESC=Cc1ccccc1N1CCC(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C21H23NO2/c1-3-16-6-4-5-7-20(16)22-14-12-18(13-15-22)21(23)17-8-10-19(24-2)11-9-17/h3-11,18H,1,12-15H2,2H3
InChIKeyAYJBZUOABKGWHL-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.44
Rot. Bonds5

About [1-(2-ethenylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone

[1-(2-ethenylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 174249291) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is [1-(2-ethenylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(2-ethenylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
PubChem CID174249291
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name[1-(2-ethenylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESC=Cc1ccccc1N1CCC(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C21H23NO2/c1-3-16-6-4-5-7-20(16)22-14-12-18(13-15-22)21(23)17-8-10-19(24-2)11-9-17/h3-11,18H,1,12-15H2,2H3
InChIKeyAYJBZUOABKGWHL-UHFFFAOYSA-N
XLogP4.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenylbut-2-en-1-one
CID 55909786
[1-(5-chloro-2-methylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 173184334
phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394064
[1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 1438179
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
[1-(4-bromo-2-nitrophenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 55501451
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methylphenyl)acetic acid
CID 146134846
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 25473025
(2-ethenylphenyl)-(4-methoxyphenyl)methanone
CID 134346906
but-2-enedioic acid;[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 3059400
(4-methoxyphenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone
CID 94244239
(4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25474112

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethenylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-(2-ethenylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (CID 174249291) is [1-(2-ethenylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-(2-ethenylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-(2-ethenylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is C=Cc1ccccc1N1CCC(C(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of [1-(2-ethenylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is AYJBZUOABKGWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-3-16-6-4-5-7-20(16)22-14-12-18(13-15-22)21(23)17-8-10-19(24-2)11-9-17/h3-11,18H,1,12-15H2,2H3.
What are the key properties of [1-(2-ethenylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
[1-(2-ethenylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 321.42 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethenylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 174249291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).