1-benzyl-4-(4-bromophenyl)-3-(hydroxymethyl)piperidin-4-ol

C19H22BrNO2 — CID 22128911

IUPAC1-benzyl-4-(4-bromophenyl)-3-(hydroxymethyl)piperidin-4-ol
SMILESOCC1CN(Cc2ccccc2)CCC1(O)c1ccc(Br)cc1
InChIInChI=1S/C19H22BrNO2/c20-18-8-6-16(7-9-18)19(23)10-11-21(13-17(19)14-22)12-15-4-2-1-3-5-15/h1-9,17,22-23H,10-14H2
InChIKeyLZOBPJOYLBVWDV-UHFFFAOYSA-N
MW376.29 g/mol
LogP3.15
Rot. Bonds4

About 1-benzyl-4-(4-bromophenyl)-3-(hydroxymethyl)piperidin-4-ol

1-benzyl-4-(4-bromophenyl)-3-(hydroxymethyl)piperidin-4-ol (PubChem CID 22128911) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is 1-benzyl-4-(4-bromophenyl)-3-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-4-(4-bromophenyl)-3-(hydroxymethyl)piperidin-4-ol
PubChem CID22128911
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC Name1-benzyl-4-(4-bromophenyl)-3-(hydroxymethyl)piperidin-4-ol
SMILESOCC1CN(Cc2ccccc2)CCC1(O)c1ccc(Br)cc1
InChIInChI=1S/C19H22BrNO2/c20-18-8-6-16(7-9-18)19(23)10-11-21(13-17(19)14-22)12-15-4-2-1-3-5-15/h1-9,17,22-23H,10-14H2
InChIKeyLZOBPJOYLBVWDV-UHFFFAOYSA-N
XLogP3.15
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-3-[hydroxy(phenyl)methyl]-4-phenyl-4-piperidinol
CID 2975495
1-Benzhydryl-4-(4-bromophenyl)piperidin-4-ol
CID 10093682
(S)-3-((S)-1-(4-bromophenyl)ethyl)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
CID 44599033
2-(4-Benzyl-1-piperazinyl)-1-(4-bromophenyl)ethanol
CID 3074368
1-(4-Bromophenyl)-2-(4-phenyl-1-piperidyl)ethanol
CID 369973
2-(4-Benzhydrylpiperazin-1-yl)-1-(4-bromophenyl)ethanol
CID 2767003
(S)-3-((S)-1-(4-bromophenyl)ethyl)-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 58109626
1-(3-Bromobenzyl)-4-(4-bromophenyl)-4-piperidinol
CID 1070039
2-[4-[2-(4-bromophenyl)vinyl]-3,6-dihydro-1(2H)-pyridinyl]-1-phenylethanol hydrochloride
CID 5719919
4-(2-Benzhydryloxy-ethyl)-1-(4-bromo-benzyl)-piperidine
CID 10552077
4-(4-Bromophenyl)-3-[(4-bromophenyl)-hydroxymethyl]-1-methylpiperidin-4-ol;methanesulfonic acid
CID 14508077
1-(1-Benzylpiperidin-4-yl)-4-(4-bromophenyl)piperidin-4-ol
CID 30983285

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-bromophenyl)-3-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of 1-benzyl-4-(4-bromophenyl)-3-(hydroxymethyl)piperidin-4-ol (CID 22128911) is 1-benzyl-4-(4-bromophenyl)-3-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for 1-benzyl-4-(4-bromophenyl)-3-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for 1-benzyl-4-(4-bromophenyl)-3-(hydroxymethyl)piperidin-4-ol is OCC1CN(Cc2ccccc2)CCC1(O)c1ccc(Br)cc1.
What is the InChIKey of 1-benzyl-4-(4-bromophenyl)-3-(hydroxymethyl)piperidin-4-ol?
The InChIKey is LZOBPJOYLBVWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c20-18-8-6-16(7-9-18)19(23)10-11-21(13-17(19)14-22)12-15-4-2-1-3-5-15/h1-9,17,22-23H,10-14H2.
What are the key properties of 1-benzyl-4-(4-bromophenyl)-3-(hydroxymethyl)piperidin-4-ol?
1-benzyl-4-(4-bromophenyl)-3-(hydroxymethyl)piperidin-4-ol has a molecular weight of 376.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-bromophenyl)-3-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 22128911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).