[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]-diphenylmethanol

C26H28BrNO — CID 70672044

IUPAC[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)C1CCN(CCc2ccc(Br)cc2)CC1
InChIInChI=1S/C26H28BrNO/c27-25-13-11-21(12-14-25)15-18-28-19-16-24(17-20-28)26(29,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,24,29H,15-20H2
InChIKeyJBOWFXLCZJFTBF-UHFFFAOYSA-N
MW450.42 g/mol
LogP5.64
Rot. Bonds6

About [1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]-diphenylmethanol

[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]-diphenylmethanol (PubChem CID 70672044) has the molecular formula C26H28BrNO and a molecular weight of 450.42 g/mol. Its IUPAC name is [1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]-diphenylmethanol
PubChem CID70672044
Molecular FormulaC26H28BrNO
Molecular Weight450.42 g/mol
Exact Mass449.14
IUPAC Name[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)C1CCN(CCc2ccc(Br)cc2)CC1
InChIInChI=1S/C26H28BrNO/c27-25-13-11-21(12-14-25)15-18-28-19-16-24(17-20-28)26(29,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,24,29H,15-20H2
InChIKeyJBOWFXLCZJFTBF-UHFFFAOYSA-N
XLogP5.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.42
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Diphenidol
CID 3055
1-Benzhydryl-4-(4-bromophenyl)piperidin-4-ol
CID 10093682
1-(3,3-Diphenylpropyl)-4-phenylpiperidin-4-ol
CID 44426803
1-Methyl-alpha,alpha-diphenyl-4-piperidinemethanol
CID 201485
1-(4-Bromophenyl)-3-(4-phenyl-1-piperidyl)propan-2-ol
CID 369967
1-(4-Bromophenyl)-2-(4-phenyl-1-piperidyl)ethanol
CID 369973
1-(4-Bromophenyl)-5-(diethylamino)-1-phenylpent-3-yn-1-ol hydrochloride
CID 2892664
4-(2-(Aminomethyl)phenyl)-1-(bis(2-bromophenyl)methyl)piperidin-4-ol
CID 9958643
1-[1-(4-Bromophenyl)-2-(dimethylamino)ethyl]cyclohexanol
CID 14183742
1-[4-(4-Methylphenyl)butyl]-alpha,alpha-diphenyl-4-piperdine-methanol
CID 44622872
Diphenyl-[1-(2-p-tolyl-ethyl)-piperidin-4-yl]-methanol
CID 45485529
4-(4-Bromophenyl)-1-[(3-bromophenyl)methyl]piperidin-4-ol
CID 1070039

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]-diphenylmethanol?
The IUPAC name of [1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]-diphenylmethanol (CID 70672044) is [1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]-diphenylmethanol?
The canonical SMILES for [1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)C1CCN(CCc2ccc(Br)cc2)CC1.
What is the InChIKey of [1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]-diphenylmethanol?
The InChIKey is JBOWFXLCZJFTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrNO/c27-25-13-11-21(12-14-25)15-18-28-19-16-24(17-20-28)26(29,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,24,29H,15-20H2.
What are the key properties of [1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]-diphenylmethanol?
[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]-diphenylmethanol has a molecular weight of 450.42 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]-diphenylmethanol is sourced from PubChem (CID 70672044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).