1-[(4-bromophenyl)methyl]-2-tert-butyl-5-ethylpiperazine

C17H27BrN2 — CID 64843504

IUPAC1-[(4-bromophenyl)methyl]-2-tert-butyl-5-ethylpiperazine
SMILESCCC1CN(Cc2ccc(Br)cc2)C(C(C)(C)C)CN1
InChIInChI=1S/C17H27BrN2/c1-5-15-12-20(16(10-19-15)17(2,3)4)11-13-6-8-14(18)9-7-13/h6-9,15-16,19H,5,10-12H2,1-4H3
InChIKeyRLCUUZHSDZPKFM-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.05
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-2-tert-butyl-5-ethylpiperazine

1-[(4-bromophenyl)methyl]-2-tert-butyl-5-ethylpiperazine (PubChem CID 64843504) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-2-tert-butyl-5-ethylpiperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-2-tert-butyl-5-ethylpiperazine
PubChem CID64843504
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-[(4-bromophenyl)methyl]-2-tert-butyl-5-ethylpiperazine
SMILESCCC1CN(Cc2ccc(Br)cc2)C(C(C)(C)C)CN1
InChIInChI=1S/C17H27BrN2/c1-5-15-12-20(16(10-19-15)17(2,3)4)11-13-6-8-14(18)9-7-13/h6-9,15-16,19H,5,10-12H2,1-4H3
InChIKeyRLCUUZHSDZPKFM-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64842153
2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine
CID 64845564
2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine
CID 64842922
2-tert-butyl-5-ethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 115982506
2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine
CID 64845947
2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine
CID 64842304
1-benzyl-5-ethyl-2-phenylpiperazine
CID 64841572
2,5-ditert-butyl-1-(thiophen-3-ylmethyl)piperazine
CID 64842232
1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine
CID 64839049
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-tert-butyl-5-ethylpiperazine
CID 66396062
2-tert-butyl-5-ethyl-1-(2-methylpentyl)piperazine
CID 64841762
2-cyclopropyl-5-ethyl-1-[(4-fluorophenyl)methyl]piperazine
CID 64841946

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-2-tert-butyl-5-ethylpiperazine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-2-tert-butyl-5-ethylpiperazine (CID 64843504) is 1-[(4-bromophenyl)methyl]-2-tert-butyl-5-ethylpiperazine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-2-tert-butyl-5-ethylpiperazine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-2-tert-butyl-5-ethylpiperazine is CCC1CN(Cc2ccc(Br)cc2)C(C(C)(C)C)CN1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-2-tert-butyl-5-ethylpiperazine?
The InChIKey is RLCUUZHSDZPKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-5-15-12-20(16(10-19-15)17(2,3)4)11-13-6-8-14(18)9-7-13/h6-9,15-16,19H,5,10-12H2,1-4H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-2-tert-butyl-5-ethylpiperazine?
1-[(4-bromophenyl)methyl]-2-tert-butyl-5-ethylpiperazine has a molecular weight of 339.32 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-2-tert-butyl-5-ethylpiperazine is sourced from PubChem (CID 64843504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).