1-[1-(4-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine

C15H23BrN2 — CID 64945692

IUPAC1-[1-(4-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine
SMILESCCC1CN(C(C)c2ccc(Br)cc2)C(C)CN1
InChIInChI=1S/C15H23BrN2/c1-4-15-10-18(11(2)9-17-15)12(3)13-5-7-14(16)8-6-13/h5-8,11-12,15,17H,4,9-10H2,1-3H3
InChIKeyXJRQUZQSWOCXDS-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.58
Rot. Bonds3

About 1-[1-(4-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine

1-[1-(4-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine (PubChem CID 64945692) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine
PubChem CID64945692
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-[1-(4-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine
SMILESCCC1CN(C(C)c2ccc(Br)cc2)C(C)CN1
InChIInChI=1S/C15H23BrN2/c1-4-15-10-18(11(2)9-17-15)12(3)13-5-7-14(16)8-6-13/h5-8,11-12,15,17H,4,9-10H2,1-3H3
InChIKeyXJRQUZQSWOCXDS-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine
CID 64945730
5-ethyl-1-[1-(2-fluorophenyl)ethyl]-2-methylpiperazine
CID 64945888
1-butan-2-yl-5-ethyl-2-methylpiperazine
CID 64931407
2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine
CID 64977794
4-[1-(5-ethyl-2-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79238271
1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine
CID 64979677
1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-diethylpiperazine
CID 64977829
5-ethyl-2-methyl-1-(1-thiophen-2-ylpropyl)piperazine
CID 64948011
5-ethyl-1-[4-(furan-2-yl)butan-2-yl]-2-methylpiperazine
CID 64947660
1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-methylpiperazine
CID 64946315
5-ethyl-2-methyl-1-(1-thiophen-2-ylbutyl)piperazine
CID 64946872
1-[1-(4-iodophenyl)ethyl]-2-methylaziridine
CID 155022245

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine?
The IUPAC name of 1-[1-(4-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine (CID 64945692) is 1-[1-(4-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine.
What is the SMILES notation for 1-[1-(4-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine?
The canonical SMILES for 1-[1-(4-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine is CCC1CN(C(C)c2ccc(Br)cc2)C(C)CN1.
What is the InChIKey of 1-[1-(4-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine?
The InChIKey is XJRQUZQSWOCXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-4-15-10-18(11(2)9-17-15)12(3)13-5-7-14(16)8-6-13/h5-8,11-12,15,17H,4,9-10H2,1-3H3.
What are the key properties of 1-[1-(4-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine?
1-[1-(4-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine has a molecular weight of 311.27 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine is sourced from PubChem (CID 64945692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).