(5-bromo-2-hydroxyphenyl)-(2,5-diethylpiperazin-1-yl)methanone

C15H21BrN2O2 — CID 107729955

IUPAC(5-bromo-2-hydroxyphenyl)-(2,5-diethylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2cc(Br)ccc2O)C(CC)CN1
InChIInChI=1S/C15H21BrN2O2/c1-3-11-9-18(12(4-2)8-17-11)15(20)13-7-10(16)5-6-14(13)19/h5-7,11-12,17,19H,3-4,8-9H2,1-2H3
InChIKeyVIFNWAMTTCYRCX-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.76
Rot. Bonds3

About (5-bromo-2-hydroxyphenyl)-(2,5-diethylpiperazin-1-yl)methanone

(5-bromo-2-hydroxyphenyl)-(2,5-diethylpiperazin-1-yl)methanone (PubChem CID 107729955) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is (5-bromo-2-hydroxyphenyl)-(2,5-diethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-hydroxyphenyl)-(2,5-diethylpiperazin-1-yl)methanone
PubChem CID107729955
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name(5-bromo-2-hydroxyphenyl)-(2,5-diethylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2cc(Br)ccc2O)C(CC)CN1
InChIInChI=1S/C15H21BrN2O2/c1-3-11-9-18(12(4-2)8-17-11)15(20)13-7-10(16)5-6-14(13)19/h5-7,11-12,17,19H,3-4,8-9H2,1-2H3
InChIKeyVIFNWAMTTCYRCX-UHFFFAOYSA-N
XLogP2.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107973323
(5-bromo-2-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 103600035
(4-bromo-1-methylpyrrol-2-yl)-(2,5-diethylpiperazin-1-yl)methanone
CID 64978537
2-(4-bromophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone
CID 64977891
(5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone
CID 64978281
(2,5-diethylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 64977938
(3-bromo-4-chlorophenyl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107990467
(2,5-dichlorothiophen-3-yl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107963586
(2,5-diethylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 64977785
1-benzofuran-2-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978460
(2,5-diethylpiperazin-1-yl)-(1H-indol-4-yl)methanone
CID 64978238
(2,5-diethylpiperazin-1-yl)-(3-ethylthiophen-2-yl)methanone
CID 64978414

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-hydroxyphenyl)-(2,5-diethylpiperazin-1-yl)methanone?
The IUPAC name of (5-bromo-2-hydroxyphenyl)-(2,5-diethylpiperazin-1-yl)methanone (CID 107729955) is (5-bromo-2-hydroxyphenyl)-(2,5-diethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-hydroxyphenyl)-(2,5-diethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-hydroxyphenyl)-(2,5-diethylpiperazin-1-yl)methanone is CCC1CN(C(=O)c2cc(Br)ccc2O)C(CC)CN1.
What is the InChIKey of (5-bromo-2-hydroxyphenyl)-(2,5-diethylpiperazin-1-yl)methanone?
The InChIKey is VIFNWAMTTCYRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-3-11-9-18(12(4-2)8-17-11)15(20)13-7-10(16)5-6-14(13)19/h5-7,11-12,17,19H,3-4,8-9H2,1-2H3.
What are the key properties of (5-bromo-2-hydroxyphenyl)-(2,5-diethylpiperazin-1-yl)methanone?
(5-bromo-2-hydroxyphenyl)-(2,5-diethylpiperazin-1-yl)methanone has a molecular weight of 341.25 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-hydroxyphenyl)-(2,5-diethylpiperazin-1-yl)methanone is sourced from PubChem (CID 107729955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).