[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone

C20H23NO3 — CID 51327506

IUPAC[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C20H23NO3/c1-14-3-8-19(24-2)18(13-14)20(23)21-11-9-16(10-12-21)15-4-6-17(22)7-5-15/h3-8,13,16,22H,9-12H2,1-2H3
InChIKeyDIGOGXWNLYFVDA-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.73
Rot. Bonds3

About [4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone

[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone (PubChem CID 51327506) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
PubChem CID51327506
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C20H23NO3/c1-14-3-8-19(24-2)18(13-14)20(23)21-11-9-16(10-12-21)15-4-6-17(22)7-5-15/h3-8,13,16,22H,9-12H2,1-2H3
InChIKeyDIGOGXWNLYFVDA-UHFFFAOYSA-N
XLogP3.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 51327321
[4-(bromomethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 80678390
(2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 136536266
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate
CID 110803244
cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110801029
[3-(bromomethyl)pyrrolidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 80668159
[3-(aminomethyl)pyrrolidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 62504749
1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 51211834
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 31363177
N-[1-(2-methoxy-5-methylbenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 55655211
(4-chlorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110802853

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of [4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone (CID 51327506) is [4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for [4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for [4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone is COc1ccc(C)cc1C(=O)N1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of [4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is DIGOGXWNLYFVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14-3-8-19(24-2)18(13-14)20(23)21-11-9-16(10-12-21)15-4-6-17(22)7-5-15/h3-8,13,16,22H,9-12H2,1-2H3.
What are the key properties of [4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone?
[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone has a molecular weight of 325.41 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 51327506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).