1-(3,5-dimethoxyphenyl)-2-phenyl-2-piperidin-4-ylethanone

C21H25NO3 — CID 70030141

IUPAC1-(3,5-dimethoxyphenyl)-2-phenyl-2-piperidin-4-ylethanone
SMILESCOc1cc(OC)cc(C(=O)C(c2ccccc2)C2CCNCC2)c1
InChIInChI=1S/C21H25NO3/c1-24-18-12-17(13-19(14-18)25-2)21(23)20(15-6-4-3-5-7-15)16-8-10-22-11-9-16/h3-7,12-14,16,20,22H,8-11H2,1-2H3
InChIKeyDKQZWBIFZOQHDA-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.67
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-2-phenyl-2-piperidin-4-ylethanone

1-(3,5-dimethoxyphenyl)-2-phenyl-2-piperidin-4-ylethanone (PubChem CID 70030141) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-2-phenyl-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-2-phenyl-2-piperidin-4-ylethanone
PubChem CID70030141
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name1-(3,5-dimethoxyphenyl)-2-phenyl-2-piperidin-4-ylethanone
SMILESCOc1cc(OC)cc(C(=O)C(c2ccccc2)C2CCNCC2)c1
InChIInChI=1S/C21H25NO3/c1-24-18-12-17(13-19(14-18)25-2)21(23)20(15-6-4-3-5-7-15)16-8-10-22-11-9-16/h3-7,12-14,16,20,22H,8-11H2,1-2H3
InChIKeyDKQZWBIFZOQHDA-UHFFFAOYSA-N
XLogP3.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis[2-(3,5-dimethoxyphenyl)-2-oxo-1-phenylethyl] carbonate
CID 66645438
2-cyclopropyl-1-(3,5-dimethoxyphenyl)propan-1-one
CID 115785456
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
methyl 2-(3-methylphenyl)-2-piperidin-4-ylacetate;hydrochloride
CID 154843186
methyl 2-cyclopropyl-2-phenylacetate
CID 82075532
(3,5-dimethoxyphenyl) piperidine-4-carboxylate
CID 94276991
1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one
CID 141244570
2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
CID 82024093
(2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate
CID 23855920
2-(3-methoxyphenoxy)-1-piperidin-4-ylethanol
CID 117238836
3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239821
3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 105477836

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-2-phenyl-2-piperidin-4-ylethanone?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-2-phenyl-2-piperidin-4-ylethanone (CID 70030141) is 1-(3,5-dimethoxyphenyl)-2-phenyl-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-2-phenyl-2-piperidin-4-ylethanone?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-2-phenyl-2-piperidin-4-ylethanone is COc1cc(OC)cc(C(=O)C(c2ccccc2)C2CCNCC2)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-2-phenyl-2-piperidin-4-ylethanone?
The InChIKey is DKQZWBIFZOQHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-24-18-12-17(13-19(14-18)25-2)21(23)20(15-6-4-3-5-7-15)16-8-10-22-11-9-16/h3-7,12-14,16,20,22H,8-11H2,1-2H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-2-phenyl-2-piperidin-4-ylethanone?
1-(3,5-dimethoxyphenyl)-2-phenyl-2-piperidin-4-ylethanone has a molecular weight of 339.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-2-phenyl-2-piperidin-4-ylethanone is sourced from PubChem (CID 70030141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).