1-(4-bromophenyl)-4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol

C22H28BrNO2 — CID 143205021

IUPAC1-(4-bromophenyl)-4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol
SMILESOC(CCCN1CCC(C(O)c2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C22H28BrNO2/c23-20-10-8-17(9-11-20)21(25)7-4-14-24-15-12-19(13-16-24)22(26)18-5-2-1-3-6-18/h1-3,5-6,8-11,19,21-22,25-26H,4,7,12-16H2
InChIKeyXLMYPIFYSILFCR-UHFFFAOYSA-N
MW418.38 g/mol
LogP4.71
Rot. Bonds7

About 1-(4-bromophenyl)-4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol

1-(4-bromophenyl)-4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol (PubChem CID 143205021) has the molecular formula C22H28BrNO2 and a molecular weight of 418.38 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol
PubChem CID143205021
Molecular FormulaC22H28BrNO2
Molecular Weight418.38 g/mol
Exact Mass417.13
IUPAC Name1-(4-bromophenyl)-4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol
SMILESOC(CCCN1CCC(C(O)c2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C22H28BrNO2/c23-20-10-8-17(9-11-20)21(25)7-4-14-24-15-12-19(13-16-24)22(26)18-5-2-1-3-6-18/h1-3,5-6,8-11,19,21-22,25-26H,4,7,12-16H2
InChIKeyXLMYPIFYSILFCR-UHFFFAOYSA-N
XLogP4.71
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Glemanserin
CID 71781
Lobelanidine
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[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl]-phenylmethanol
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(1R)-1-(3-bromophenyl)-2-(3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)ethanol
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3-(4-Bromophenyl)-1-(4-hydroxybutylamino)-2-phenylheptan-3-ol;hydrochloride
CID 16193814
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CID 3074368
2-(4-Benzylpiperidin-1-yl)-1-phenylethan-1-ol
CID 5189624
(1S)-2-[(2R,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol
CID 6604328
1-(4-Bromophenyl)-3-(4-phenyl-1-piperidyl)propan-2-ol
CID 369967
1-(4-Bromophenyl)-2-(4-phenyl-1-piperidyl)ethanol
CID 369973
3-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-yl]-1-(4-bromo-phenyl)-propan-1-ol
CID 401920
2-(4-Benzhydrylpiperazin-1-yl)-1-(4-bromophenyl)ethanol
CID 2767003

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol?
The IUPAC name of 1-(4-bromophenyl)-4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol (CID 143205021) is 1-(4-bromophenyl)-4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol is OC(CCCN1CCC(C(O)c2ccccc2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol?
The InChIKey is XLMYPIFYSILFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrNO2/c23-20-10-8-17(9-11-20)21(25)7-4-14-24-15-12-19(13-16-24)22(26)18-5-2-1-3-6-18/h1-3,5-6,8-11,19,21-22,25-26H,4,7,12-16H2.
What are the key properties of 1-(4-bromophenyl)-4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol?
1-(4-bromophenyl)-4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol has a molecular weight of 418.38 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol is sourced from PubChem (CID 143205021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).