(4-bromo-2-hydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone

C15H22BrN3O2 — CID 62890375

IUPAC(4-bromo-2-hydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
SMILESCN(C)CCN1CCN(C(=O)c2ccc(Br)cc2O)CC1
InChIInChI=1S/C15H22BrN3O2/c1-17(2)5-6-18-7-9-19(10-8-18)15(21)13-4-3-12(16)11-14(13)20/h3-4,11,20H,5-10H2,1-2H3
InChIKeyUQELXFUUDZKMTL-UHFFFAOYSA-N
MW356.26 g/mol
LogP1.47
Rot. Bonds4

About (4-bromo-2-hydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone

(4-bromo-2-hydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone (PubChem CID 62890375) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is (4-bromo-2-hydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-2-hydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
PubChem CID62890375
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Name(4-bromo-2-hydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
SMILESCN(C)CCN1CCN(C(=O)c2ccc(Br)cc2O)CC1
InChIInChI=1S/C15H22BrN3O2/c1-17(2)5-6-18-7-9-19(10-8-18)15(21)13-4-3-12(16)11-14(13)20/h3-4,11,20H,5-10H2,1-2H3
InChIKeyUQELXFUUDZKMTL-UHFFFAOYSA-N
XLogP1.47
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dihydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 114344314
(2-bromo-5-fluorophenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 60698518
(2-bromofuran-3-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 106853905
(2,4-diaminophenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 62887479
(4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 47436089
(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone
CID 47080583
(5-bromo-2-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 62952392
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 60712432
(4-bromo-2-hydroxyphenyl)-(4-bromopiperidin-1-yl)methanone
CID 80662371
(3-bromophenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone
CID 113073783
(4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62084706
(4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251111

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-hydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (4-bromo-2-hydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone (CID 62890375) is (4-bromo-2-hydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromo-2-hydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-bromo-2-hydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone is CN(C)CCN1CCN(C(=O)c2ccc(Br)cc2O)CC1.
What is the InChIKey of (4-bromo-2-hydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
The InChIKey is UQELXFUUDZKMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-17(2)5-6-18-7-9-19(10-8-18)15(21)13-4-3-12(16)11-14(13)20/h3-4,11,20H,5-10H2,1-2H3.
What are the key properties of (4-bromo-2-hydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
(4-bromo-2-hydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone has a molecular weight of 356.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-hydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 62890375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).