1-(4-bromo-2,3-dichlorophenyl)-5-ethyl-2,5-dimethylpiperazine

C14H19BrCl2N2 — CID 107794409

IUPAC1-(4-bromo-2,3-dichlorophenyl)-5-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CN(c2ccc(Br)c(Cl)c2Cl)C(C)CN1
InChIInChI=1S/C14H19BrCl2N2/c1-4-14(3)8-19(9(2)7-18-14)11-6-5-10(15)12(16)13(11)17/h5-6,9,18H,4,7-8H2,1-3H3
InChIKeyLZMNZFBAOAYITA-UHFFFAOYSA-N
MW366.13 g/mol
LogP4.72
Rot. Bonds2

About 1-(4-bromo-2,3-dichlorophenyl)-5-ethyl-2,5-dimethylpiperazine

1-(4-bromo-2,3-dichlorophenyl)-5-ethyl-2,5-dimethylpiperazine (PubChem CID 107794409) has the molecular formula C14H19BrCl2N2 and a molecular weight of 366.13 g/mol. Its IUPAC name is 1-(4-bromo-2,3-dichlorophenyl)-5-ethyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-2,3-dichlorophenyl)-5-ethyl-2,5-dimethylpiperazine
PubChem CID107794409
Molecular FormulaC14H19BrCl2N2
Molecular Weight366.13 g/mol
Exact Mass364.01
IUPAC Name1-(4-bromo-2,3-dichlorophenyl)-5-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CN(c2ccc(Br)c(Cl)c2Cl)C(C)CN1
InChIInChI=1S/C14H19BrCl2N2/c1-4-14(3)8-19(9(2)7-18-14)11-6-5-10(15)12(16)13(11)17/h5-6,9,18H,4,7-8H2,1-3H3
InChIKeyLZMNZFBAOAYITA-UHFFFAOYSA-N
XLogP4.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.13
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,3-dichlorophenyl)-5-ethyl-2,5-dimethylpiperazine?
The IUPAC name of 1-(4-bromo-2,3-dichlorophenyl)-5-ethyl-2,5-dimethylpiperazine (CID 107794409) is 1-(4-bromo-2,3-dichlorophenyl)-5-ethyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-(4-bromo-2,3-dichlorophenyl)-5-ethyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-(4-bromo-2,3-dichlorophenyl)-5-ethyl-2,5-dimethylpiperazine is CCC1(C)CN(c2ccc(Br)c(Cl)c2Cl)C(C)CN1.
What is the InChIKey of 1-(4-bromo-2,3-dichlorophenyl)-5-ethyl-2,5-dimethylpiperazine?
The InChIKey is LZMNZFBAOAYITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrCl2N2/c1-4-14(3)8-19(9(2)7-18-14)11-6-5-10(15)12(16)13(11)17/h5-6,9,18H,4,7-8H2,1-3H3.
What are the key properties of 1-(4-bromo-2,3-dichlorophenyl)-5-ethyl-2,5-dimethylpiperazine?
1-(4-bromo-2,3-dichlorophenyl)-5-ethyl-2,5-dimethylpiperazine has a molecular weight of 366.13 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,3-dichlorophenyl)-5-ethyl-2,5-dimethylpiperazine is sourced from PubChem (CID 107794409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).