1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3-methylpiperazine;hydrochloride

C13H19BrCl2N2O — CID 119924404

IUPAC1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3-methylpiperazine;hydrochloride
SMILESCC1CN(CCOc2ccc(Cl)cc2Br)CCN1.Cl
InChIInChI=1S/C13H18BrClN2O.ClH/c1-10-9-17(5-4-16-10)6-7-18-13-3-2-11(15)8-12(13)14;/h2-3,8,10,16H,4-7,9H2,1H3;1H
InChIKeyHIUWYHRFCQLHHD-UHFFFAOYSA-N
MW370.12 g/mol
LogP3.20
Rot. Bonds4

About 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3-methylpiperazine;hydrochloride

1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3-methylpiperazine;hydrochloride (PubChem CID 119924404) has the molecular formula C13H19BrCl2N2O and a molecular weight of 370.12 g/mol. Its IUPAC name is 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3-methylpiperazine;hydrochloride
PubChem CID119924404
Molecular FormulaC13H19BrCl2N2O
Molecular Weight370.12 g/mol
Exact Mass368.01
IUPAC Name1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3-methylpiperazine;hydrochloride
SMILESCC1CN(CCOc2ccc(Cl)cc2Br)CCN1.Cl
InChIInChI=1S/C13H18BrClN2O.ClH/c1-10-9-17(5-4-16-10)6-7-18-13-3-2-11(15)8-12(13)14;/h2-3,8,10,16H,4-7,9H2,1H3;1H
InChIKeyHIUWYHRFCQLHHD-UHFFFAOYSA-N
XLogP3.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.12
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-bromo-4-chlorophenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917465
(3R)-1-[2-(2-bromo-4-chlorophenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905237
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine
CID 96925924
1-[3-(2-bromophenoxy)propyl]-3-methylpiperazine;dihydrochloride
CID 170456446
1-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]piperazine
CID 66195593
1-[2-(2-bromo-4-chlorophenoxy)ethyl]-4-ethylpiperazine
CID 973313
1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine
CID 803399
(3S)-1-[2-(4-bromophenoxy)ethyl]-3-methylpiperazine
CID 104977117
2-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]propanoic acid
CID 116683883
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine
CID 104977061
1-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethyl]-3-methylpiperidine;oxalic acid
CID 2935988
1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperazine
CID 120966241

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3-methylpiperazine;hydrochloride?
The IUPAC name of 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3-methylpiperazine;hydrochloride (CID 119924404) is 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3-methylpiperazine;hydrochloride is CC1CN(CCOc2ccc(Cl)cc2Br)CCN1.Cl.
What is the InChIKey of 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3-methylpiperazine;hydrochloride?
The InChIKey is HIUWYHRFCQLHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O.ClH/c1-10-9-17(5-4-16-10)6-7-18-13-3-2-11(15)8-12(13)14;/h2-3,8,10,16H,4-7,9H2,1H3;1H.
What are the key properties of 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3-methylpiperazine;hydrochloride?
1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3-methylpiperazine;hydrochloride has a molecular weight of 370.12 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3-methylpiperazine;hydrochloride is sourced from PubChem (CID 119924404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).