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

C20H23NO2 — CID 110725272

IUPAC1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
SMILESCOC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H23NO2/c1-23-18-12-14-21(15-13-18)20(22)19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3
InChIKeyBQAVIDSSEHHBMS-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.46
Rot. Bonds4

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

1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone (PubChem CID 110725272) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone.

Molecular Properties

Compound Name1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
PubChem CID110725272
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
SMILESCOC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H23NO2/c1-23-18-12-14-21(15-13-18)20(22)19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3
InChIKeyBQAVIDSSEHHBMS-UHFFFAOYSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-2-phenylethanone
CID 61156075
N-[2-(4-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 55520388
1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119562554
methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 110818280
1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119519475
1-(4-methoxypiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107022640
1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone
CID 119663605
1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone
CID 90639146
2-(4-methoxypiperidine-1-carbonyl)benzoic acid
CID 43372663
1-(2,2-diphenylacetyl)-N-methylpiperidine-4-carboxamide
CID 110350749
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 121161345
1-(4,4-dimethoxypiperidin-1-yl)-2,2-diphenylethanone
CID 84579916

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone?
The IUPAC name of 1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone (CID 110725272) is 1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone.
What is the SMILES notation for 1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone?
The canonical SMILES for 1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone is COC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone?
The InChIKey is BQAVIDSSEHHBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-23-18-12-14-21(15-13-18)20(22)19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3.
What are the key properties of 1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone?
1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone has a molecular weight of 309.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone is sourced from PubChem (CID 110725272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).