(2-hydroxy-3,4-dimethylphenyl)-(4-phenoxypiperidin-1-yl)methanone

C20H23NO3 — CID 86833851

IUPAC(2-hydroxy-3,4-dimethylphenyl)-(4-phenoxypiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)c(O)c1C
InChIInChI=1S/C20H23NO3/c1-14-8-9-18(19(22)15(14)2)20(23)21-12-10-17(11-13-21)24-16-6-4-3-5-7-16/h3-9,17,22H,10-13H2,1-2H3
InChIKeySRNXSQURMDRNHE-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.69
Rot. Bonds3

About (2-hydroxy-3,4-dimethylphenyl)-(4-phenoxypiperidin-1-yl)methanone

(2-hydroxy-3,4-dimethylphenyl)-(4-phenoxypiperidin-1-yl)methanone (PubChem CID 86833851) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2-hydroxy-3,4-dimethylphenyl)-(4-phenoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-3,4-dimethylphenyl)-(4-phenoxypiperidin-1-yl)methanone
PubChem CID86833851
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(2-hydroxy-3,4-dimethylphenyl)-(4-phenoxypiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)c(O)c1C
InChIInChI=1S/C20H23NO3/c1-14-8-9-18(19(22)15(14)2)20(23)21-12-10-17(11-13-21)24-16-6-4-3-5-7-16/h3-9,17,22H,10-13H2,1-2H3
InChIKeySRNXSQURMDRNHE-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-3,4-dimethylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 87011127
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
1-[2,4-dimethyl-5-(4-phenoxypiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 47071181
(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725091
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate
CID 110397090
(4-methylsulfinylphenyl)-(4-phenoxypiperidin-1-yl)methanone
CID 86835918
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 55803881
(2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396817
(4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone
CID 60859991
(4-phenoxypiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone
CID 169211388
(1-aminocyclopropyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725071

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3,4-dimethylphenyl)-(4-phenoxypiperidin-1-yl)methanone?
The IUPAC name of (2-hydroxy-3,4-dimethylphenyl)-(4-phenoxypiperidin-1-yl)methanone (CID 86833851) is (2-hydroxy-3,4-dimethylphenyl)-(4-phenoxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-hydroxy-3,4-dimethylphenyl)-(4-phenoxypiperidin-1-yl)methanone?
The canonical SMILES for (2-hydroxy-3,4-dimethylphenyl)-(4-phenoxypiperidin-1-yl)methanone is Cc1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)c(O)c1C.
What is the InChIKey of (2-hydroxy-3,4-dimethylphenyl)-(4-phenoxypiperidin-1-yl)methanone?
The InChIKey is SRNXSQURMDRNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14-8-9-18(19(22)15(14)2)20(23)21-12-10-17(11-13-21)24-16-6-4-3-5-7-16/h3-9,17,22H,10-13H2,1-2H3.
What are the key properties of (2-hydroxy-3,4-dimethylphenyl)-(4-phenoxypiperidin-1-yl)methanone?
(2-hydroxy-3,4-dimethylphenyl)-(4-phenoxypiperidin-1-yl)methanone has a molecular weight of 325.41 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3,4-dimethylphenyl)-(4-phenoxypiperidin-1-yl)methanone is sourced from PubChem (CID 86833851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).