1-(4,4-dimethoxypiperidin-1-yl)-2,2-diphenylethanone

C21H25NO3 — CID 84579916

IUPAC1-(4,4-dimethoxypiperidin-1-yl)-2,2-diphenylethanone
SMILESCOC1(OC)CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25NO3/c1-24-21(25-2)13-15-22(16-14-21)20(23)19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3
InChIKeyLOEGQAACAOYUAK-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.43
Rot. Bonds5

About 1-(4,4-dimethoxypiperidin-1-yl)-2,2-diphenylethanone

1-(4,4-dimethoxypiperidin-1-yl)-2,2-diphenylethanone (PubChem CID 84579916) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(4,4-dimethoxypiperidin-1-yl)-2,2-diphenylethanone.

Molecular Properties

Compound Name1-(4,4-dimethoxypiperidin-1-yl)-2,2-diphenylethanone
PubChem CID84579916
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name1-(4,4-dimethoxypiperidin-1-yl)-2,2-diphenylethanone
SMILESCOC1(OC)CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25NO3/c1-24-21(25-2)13-15-22(16-14-21)20(23)19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3
InChIKeyLOEGQAACAOYUAK-UHFFFAOYSA-N
XLogP3.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 110818280
1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110725272
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256443
(3R)-1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124695120
1-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]-2,2-diphenylethanone
CID 143894081
1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
CID 2303179
tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 16617188
1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119562554
2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone
CID 11232518
2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3636025
1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone
CID 99185253

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethoxypiperidin-1-yl)-2,2-diphenylethanone?
The IUPAC name of 1-(4,4-dimethoxypiperidin-1-yl)-2,2-diphenylethanone (CID 84579916) is 1-(4,4-dimethoxypiperidin-1-yl)-2,2-diphenylethanone.
What is the SMILES notation for 1-(4,4-dimethoxypiperidin-1-yl)-2,2-diphenylethanone?
The canonical SMILES for 1-(4,4-dimethoxypiperidin-1-yl)-2,2-diphenylethanone is COC1(OC)CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4,4-dimethoxypiperidin-1-yl)-2,2-diphenylethanone?
The InChIKey is LOEGQAACAOYUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-24-21(25-2)13-15-22(16-14-21)20(23)19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3.
What are the key properties of 1-(4,4-dimethoxypiperidin-1-yl)-2,2-diphenylethanone?
1-(4,4-dimethoxypiperidin-1-yl)-2,2-diphenylethanone has a molecular weight of 339.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethoxypiperidin-1-yl)-2,2-diphenylethanone is sourced from PubChem (CID 84579916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).