[2-[(2-bromophenyl)methoxy]phenyl]-(4-phenylpiperazin-1-yl)methanone

C24H23BrN2O2 — CID 55333873

IUPAC[2-[(2-bromophenyl)methoxy]phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1OCc1ccccc1Br)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H23BrN2O2/c25-22-12-6-4-8-19(22)18-29-23-13-7-5-11-21(23)24(28)27-16-14-26(15-17-27)20-9-2-1-3-10-20/h1-13H,14-18H2
InChIKeyPSKRWIPTTGSKBT-UHFFFAOYSA-N
MW451.36 g/mol
LogP4.99
Rot. Bonds5

About [2-[(2-bromophenyl)methoxy]phenyl]-(4-phenylpiperazin-1-yl)methanone

[2-[(2-bromophenyl)methoxy]phenyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 55333873) has the molecular formula C24H23BrN2O2 and a molecular weight of 451.36 g/mol. Its IUPAC name is [2-[(2-bromophenyl)methoxy]phenyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(2-bromophenyl)methoxy]phenyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID55333873
Molecular FormulaC24H23BrN2O2
Molecular Weight451.36 g/mol
Exact Mass450.09
IUPAC Name[2-[(2-bromophenyl)methoxy]phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1OCc1ccccc1Br)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H23BrN2O2/c25-22-12-6-4-8-19(22)18-29-23-13-7-5-11-21(23)24(28)27-16-14-26(15-17-27)20-9-2-1-3-10-20/h1-13H,14-18H2
InChIKeyPSKRWIPTTGSKBT-UHFFFAOYSA-N
XLogP4.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.36
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-bromophenyl)methoxy]phenyl]-(2,2-dimethylmorpholin-4-yl)methanone
CID 55657313
[2-[(4-fluorophenyl)methoxy]phenyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
CID 112803676
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(2-phenoxyethoxy)phenyl]methanone
CID 46797418
2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
CID 17256713
[4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 844183
[2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone
CID 83475674
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112763013
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
2-[(2-bromophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide
CID 55857067
2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17018898
(3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 58736410

Frequently Asked Questions

What is the IUPAC name of [2-[(2-bromophenyl)methoxy]phenyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-[(2-bromophenyl)methoxy]phenyl]-(4-phenylpiperazin-1-yl)methanone (CID 55333873) is [2-[(2-bromophenyl)methoxy]phenyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[(2-bromophenyl)methoxy]phenyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[(2-bromophenyl)methoxy]phenyl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccccc1OCc1ccccc1Br)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [2-[(2-bromophenyl)methoxy]phenyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is PSKRWIPTTGSKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O2/c25-22-12-6-4-8-19(22)18-29-23-13-7-5-11-21(23)24(28)27-16-14-26(15-17-27)20-9-2-1-3-10-20/h1-13H,14-18H2.
What are the key properties of [2-[(2-bromophenyl)methoxy]phenyl]-(4-phenylpiperazin-1-yl)methanone?
[2-[(2-bromophenyl)methoxy]phenyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 451.36 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-bromophenyl)methoxy]phenyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 55333873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).