(5-bromo-2-hydroxyphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone

C19H21BrN2O3 — CID 31619065

IUPAC(5-bromo-2-hydroxyphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cc(Br)ccc2O)CC1
InChIInChI=1S/C19H21BrN2O3/c1-2-25-18-6-4-3-5-16(18)21-9-11-22(12-10-21)19(24)15-13-14(20)7-8-17(15)23/h3-8,13,23H,2,9-12H2,1H3
InChIKeyWGCCMUAOWUIHKU-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.52
Rot. Bonds4

About (5-bromo-2-hydroxyphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone

(5-bromo-2-hydroxyphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone (PubChem CID 31619065) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is (5-bromo-2-hydroxyphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-hydroxyphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
PubChem CID31619065
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name(5-bromo-2-hydroxyphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cc(Br)ccc2O)CC1
InChIInChI=1S/C19H21BrN2O3/c1-2-25-18-6-4-3-5-16(18)21-9-11-22(12-10-21)19(24)15-13-14(20)7-8-17(15)23/h3-8,13,23H,2,9-12H2,1H3
InChIKeyWGCCMUAOWUIHKU-UHFFFAOYSA-N
XLogP3.52
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 35514407
(2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 9415517
2-(4-bromo-2-methylphenyl)sulfanyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
CID 2444886
[4-(2-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 27535905
(5-bromo-2-hydroxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17452341
4-bromo-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-fluorobenzamide
CID 133423334
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 134062153
(2-chloro-5-methylsulfonylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 9415357
[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9415493
[5-(4-bromophenyl)pyrazolidin-3-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 75605805
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 752975
[4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 9415301

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-hydroxyphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-bromo-2-hydroxyphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone (CID 31619065) is (5-bromo-2-hydroxyphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-hydroxyphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-hydroxyphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone is CCOc1ccccc1N1CCN(C(=O)c2cc(Br)ccc2O)CC1.
What is the InChIKey of (5-bromo-2-hydroxyphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is WGCCMUAOWUIHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-2-25-18-6-4-3-5-16(18)21-9-11-22(12-10-21)19(24)15-13-14(20)7-8-17(15)23/h3-8,13,23H,2,9-12H2,1H3.
What are the key properties of (5-bromo-2-hydroxyphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
(5-bromo-2-hydroxyphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 405.29 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-hydroxyphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 31619065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).