2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide

C21H26BrNO3 — CID 67119971

IUPAC2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
SMILESBr.COc1ccc(C(=O)CC2(O)CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H25NO3.BrH/c1-25-19-9-7-18(8-10-19)20(23)15-21(24)11-13-22(14-12-21)16-17-5-3-2-4-6-17;/h2-10,24H,11-16H2,1H3;1H
InChIKeyLOPDKDLOHDQBHU-UHFFFAOYSA-N
MW420.35 g/mol
LogP3.87
Rot. Bonds6

About 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide

2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide (PubChem CID 67119971) has the molecular formula C21H26BrNO3 and a molecular weight of 420.35 g/mol. Its IUPAC name is 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide.

Molecular Properties

Compound Name2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
PubChem CID67119971
Molecular FormulaC21H26BrNO3
Molecular Weight420.35 g/mol
Exact Mass419.11
IUPAC Name2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
SMILESBr.COc1ccc(C(=O)CC2(O)CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H25NO3.BrH/c1-25-19-9-7-18(8-10-19)20(23)15-21(24)11-13-22(14-12-21)16-17-5-3-2-4-6-17;/h2-10,24H,11-16H2,1H3;1H
InChIKeyLOPDKDLOHDQBHU-UHFFFAOYSA-N
XLogP3.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide
CID 67119844
2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-phenylethanone;hydrochloride
CID 67119848
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 39985567
tert-butyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate;ethane
CID 177011643
[1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 42558104
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
1-benzyl-4-(2-methylpropyl)piperidin-4-ol
CID 83693176
N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55913747
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4851320
(Z)-N-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)ethanimine
CID 5413986
[1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine
CID 95504616
3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid
CID 66322768

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide?
The IUPAC name of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide (CID 67119971) is 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide.
What is the SMILES notation for 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide?
The canonical SMILES for 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide is Br.COc1ccc(C(=O)CC2(O)CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide?
The InChIKey is LOPDKDLOHDQBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3.BrH/c1-25-19-9-7-18(8-10-19)20(23)15-21(24)11-13-22(14-12-21)16-17-5-3-2-4-6-17;/h2-10,24H,11-16H2,1H3;1H.
What are the key properties of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide?
2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide has a molecular weight of 420.35 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide is sourced from PubChem (CID 67119971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).