2-(2-bromophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride

C14H20BrClN2O2 — CID 119472199

IUPAC2-(2-bromophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCC(Oc1ccccc1Br)C(=O)N1CCNCC1C.Cl
InChIInChI=1S/C14H19BrN2O2.ClH/c1-10-9-16-7-8-17(10)14(18)11(2)19-13-6-4-3-5-12(13)15;/h3-6,10-11,16H,7-9H2,1-2H3;1H
InChIKeyUWYGMCPFCRIQOR-UHFFFAOYSA-N
MW363.68 g/mol
LogP2.46
Rot. Bonds3

About 2-(2-bromophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride

2-(2-bromophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride (PubChem CID 119472199) has the molecular formula C14H20BrClN2O2 and a molecular weight of 363.68 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(2-bromophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
PubChem CID119472199
Molecular FormulaC14H20BrClN2O2
Molecular Weight363.68 g/mol
Exact Mass362.04
IUPAC Name2-(2-bromophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCC(Oc1ccccc1Br)C(=O)N1CCNCC1C.Cl
InChIInChI=1S/C14H19BrN2O2.ClH/c1-10-9-16-7-8-17(10)14(18)11(2)19-13-6-4-3-5-12(13)15;/h3-6,10-11,16H,7-9H2,1-2H3;1H
InChIKeyUWYGMCPFCRIQOR-UHFFFAOYSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.68
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-bromophenoxy)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 124571324
2-(3,5-dichlorophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119473115
2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119472935
(2S)-1-[(2R)-2-methylpiperazin-1-yl]-2-pyridin-3-yloxypropan-1-one
CID 124570770
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
CID 120734753
(2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one
CID 28825799
2-(2-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 111118289
(3R)-3-(2-methoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 124571039
2-benzylsulfanyl-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119470581
(2S)-2-(2-bromophenoxy)-1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 124685117
(2,6-dimethoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755447
1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one
CID 62673993

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 2-(2-bromophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride (CID 119472199) is 2-(2-bromophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-(2-bromophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2-(2-bromophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride is CC(Oc1ccccc1Br)C(=O)N1CCNCC1C.Cl.
What is the InChIKey of 2-(2-bromophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride?
The InChIKey is UWYGMCPFCRIQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2.ClH/c1-10-9-16-7-8-17(10)14(18)11(2)19-13-6-4-3-5-12(13)15;/h3-6,10-11,16H,7-9H2,1-2H3;1H.
What are the key properties of 2-(2-bromophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride?
2-(2-bromophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride has a molecular weight of 363.68 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119472199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).