1-[2-(5-bromo-2-phenylmethoxyphenyl)-2-hydroxyethyl]piperidin-4-ol

C20H24BrNO3 — CID 141118408

IUPAC1-[2-(5-bromo-2-phenylmethoxyphenyl)-2-hydroxyethyl]piperidin-4-ol
SMILESOC1CCN(CC(O)c2cc(Br)ccc2OCc2ccccc2)CC1
InChIInChI=1S/C20H24BrNO3/c21-16-6-7-20(25-14-15-4-2-1-3-5-15)18(12-16)19(24)13-22-10-8-17(23)9-11-22/h1-7,12,17,19,23-24H,8-11,13-14H2
InChIKeyDGPXPWPRSUWAPY-UHFFFAOYSA-N
MW406.32 g/mol
LogP3.52
Rot. Bonds6

About 1-[2-(5-bromo-2-phenylmethoxyphenyl)-2-hydroxyethyl]piperidin-4-ol

1-[2-(5-bromo-2-phenylmethoxyphenyl)-2-hydroxyethyl]piperidin-4-ol (PubChem CID 141118408) has the molecular formula C20H24BrNO3 and a molecular weight of 406.32 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-phenylmethoxyphenyl)-2-hydroxyethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(5-bromo-2-phenylmethoxyphenyl)-2-hydroxyethyl]piperidin-4-ol
PubChem CID141118408
Molecular FormulaC20H24BrNO3
Molecular Weight406.32 g/mol
Exact Mass405.09
IUPAC Name1-[2-(5-bromo-2-phenylmethoxyphenyl)-2-hydroxyethyl]piperidin-4-ol
SMILESOC1CCN(CC(O)c2cc(Br)ccc2OCc2ccccc2)CC1
InChIInChI=1S/C20H24BrNO3/c21-16-6-7-20(25-14-15-4-2-1-3-5-15)18(12-16)19(24)13-22-10-8-17(23)9-11-22/h1-7,12,17,19,23-24H,8-11,13-14H2
InChIKeyDGPXPWPRSUWAPY-UHFFFAOYSA-N
XLogP3.52
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(5-bromo-2-phenylmethoxyphenyl)-2-hydroxyethyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
2-(5-bromo-2-phenylmethoxyphenyl)propane-1,3-diol
CID 156555917
1-(2-phenylmethoxy-5-propylphenyl)-2-piperazin-1-ylethanol
CID 4676253
1-(5-butan-2-yl-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 3876367
1-(5-nitro-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 4019021
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030
1-(3-bromo-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 4303694
(2S)-2-(4-hydroxypiperidin-1-yl)-2-(2-phenylmethoxyphenyl)acetic acid
CID 97193493
3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropan-1-amine
CID 141002996
3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropanal
CID 18357288

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-phenylmethoxyphenyl)-2-hydroxyethyl]piperidin-4-ol?
The IUPAC name of 1-[2-(5-bromo-2-phenylmethoxyphenyl)-2-hydroxyethyl]piperidin-4-ol (CID 141118408) is 1-[2-(5-bromo-2-phenylmethoxyphenyl)-2-hydroxyethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(5-bromo-2-phenylmethoxyphenyl)-2-hydroxyethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(5-bromo-2-phenylmethoxyphenyl)-2-hydroxyethyl]piperidin-4-ol is OC1CCN(CC(O)c2cc(Br)ccc2OCc2ccccc2)CC1.
What is the InChIKey of 1-[2-(5-bromo-2-phenylmethoxyphenyl)-2-hydroxyethyl]piperidin-4-ol?
The InChIKey is DGPXPWPRSUWAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO3/c21-16-6-7-20(25-14-15-4-2-1-3-5-15)18(12-16)19(24)13-22-10-8-17(23)9-11-22/h1-7,12,17,19,23-24H,8-11,13-14H2.
What are the key properties of 1-[2-(5-bromo-2-phenylmethoxyphenyl)-2-hydroxyethyl]piperidin-4-ol?
1-[2-(5-bromo-2-phenylmethoxyphenyl)-2-hydroxyethyl]piperidin-4-ol has a molecular weight of 406.32 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-2-phenylmethoxyphenyl)-2-hydroxyethyl]piperidin-4-ol is sourced from PubChem (CID 141118408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).