2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide

C20H24BrNO2 — CID 67119844

IUPAC2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide
SMILESBr.O=C(CC1(O)CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H23NO2.BrH/c22-19(18-9-5-2-6-10-18)15-20(23)11-13-21(14-12-20)16-17-7-3-1-4-8-17;/h1-10,23H,11-16H2;1H
InChIKeyOATJMONTLHEVLP-UHFFFAOYSA-N
MW390.32 g/mol
LogP3.86
Rot. Bonds5

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

2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide (PubChem CID 67119844) has the molecular formula C20H24BrNO2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide.

Molecular Properties

Compound Name2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide
PubChem CID67119844
Molecular FormulaC20H24BrNO2
Molecular Weight390.32 g/mol
Exact Mass389.10
IUPAC Name2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide
SMILESBr.O=C(CC1(O)CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H23NO2.BrH/c22-19(18-9-5-2-6-10-18)15-20(23)11-13-21(14-12-20)16-17-7-3-1-4-8-17;/h1-10,23H,11-16H2;1H
InChIKeyOATJMONTLHEVLP-UHFFFAOYSA-N
XLogP3.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-phenylethanone;hydrochloride
CID 67119848
2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
CID 67119971
2-[4-hydroxy-1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-1-phenylethanone;hydrochloride
CID 67119934
3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid
CID 66322768
tert-butyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate;ethane
CID 177011643
1-benzyl-4-(2-methylpropyl)piperidin-4-ol
CID 83693176
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one
CID 59229808
1-benzyl-4-hydroxypiperidine-4-sulfonic acid
CID 103574365
2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid
CID 62399064

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide?
The IUPAC name of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide (CID 67119844) is 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide.
What is the SMILES notation for 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide?
The canonical SMILES for 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide is Br.O=C(CC1(O)CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide?
The InChIKey is OATJMONTLHEVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2.BrH/c22-19(18-9-5-2-6-10-18)15-20(23)11-13-21(14-12-20)16-17-7-3-1-4-8-17;/h1-10,23H,11-16H2;1H.
What are the key properties of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide?
2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide has a molecular weight of 390.32 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide is sourced from PubChem (CID 67119844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).