1-(4-bromophenyl)-5-ethyl-2-phenylpiperazine

C18H21BrN2 — CID 64935672

IUPAC1-(4-bromophenyl)-5-ethyl-2-phenylpiperazine
SMILESCCC1CN(c2ccc(Br)cc2)C(c2ccccc2)CN1
InChIInChI=1S/C18H21BrN2/c1-2-16-13-21(17-10-8-15(19)9-11-17)18(12-20-16)14-6-4-3-5-7-14/h3-11,16,18,20H,2,12-13H2,1H3
InChIKeySWSNGZDRSCFOGT-UHFFFAOYSA-N
MW345.28 g/mol
LogP4.38
Rot. Bonds3

About 1-(4-bromophenyl)-5-ethyl-2-phenylpiperazine

1-(4-bromophenyl)-5-ethyl-2-phenylpiperazine (PubChem CID 64935672) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-ethyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-ethyl-2-phenylpiperazine
PubChem CID64935672
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name1-(4-bromophenyl)-5-ethyl-2-phenylpiperazine
SMILESCCC1CN(c2ccc(Br)cc2)C(c2ccccc2)CN1
InChIInChI=1S/C18H21BrN2/c1-2-16-13-21(17-10-8-15(19)9-11-17)18(12-20-16)14-6-4-3-5-7-14/h3-11,16,18,20H,2,12-13H2,1H3
InChIKeySWSNGZDRSCFOGT-UHFFFAOYSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-2-phenyl-1-propan-2-ylpiperazine
CID 64843317
1-benzyl-5-ethyl-2-phenylpiperazine
CID 64841572
5-ethyl-1-phenyl-2-propan-2-ylpiperazine
CID 64930277
5-ethyl-2-phenyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine
CID 79361327
1-(2,3-dimethylcyclopentyl)-5-ethyl-2-phenylpiperazine
CID 64941107
1-(4-chlorophenyl)-5-methyl-2-phenylpiperazine
CID 64937509
1-(cyclobutylmethyl)-5-ethyl-2-phenylpiperazine
CID 64935193
5-ethyl-1-hex-5-ynyl-2-phenylpiperazine
CID 106211749
5-ethyl-1-(2-methylcyclohexyl)-2-phenylpiperazine
CID 64932261
5-ethyl-1-(4-methylpentyl)-2-phenylpiperazine
CID 64940985
5-ethyl-2-phenyl-1-(pyridin-4-ylmethyl)piperazine
CID 64841963
1-(2,2-dimethylcyclopentyl)-5-ethyl-2-phenylpiperazine
CID 79871083

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-ethyl-2-phenylpiperazine?
The IUPAC name of 1-(4-bromophenyl)-5-ethyl-2-phenylpiperazine (CID 64935672) is 1-(4-bromophenyl)-5-ethyl-2-phenylpiperazine.
What is the SMILES notation for 1-(4-bromophenyl)-5-ethyl-2-phenylpiperazine?
The canonical SMILES for 1-(4-bromophenyl)-5-ethyl-2-phenylpiperazine is CCC1CN(c2ccc(Br)cc2)C(c2ccccc2)CN1.
What is the InChIKey of 1-(4-bromophenyl)-5-ethyl-2-phenylpiperazine?
The InChIKey is SWSNGZDRSCFOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2/c1-2-16-13-21(17-10-8-15(19)9-11-17)18(12-20-16)14-6-4-3-5-7-14/h3-11,16,18,20H,2,12-13H2,1H3.
What are the key properties of 1-(4-bromophenyl)-5-ethyl-2-phenylpiperazine?
1-(4-bromophenyl)-5-ethyl-2-phenylpiperazine has a molecular weight of 345.28 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-ethyl-2-phenylpiperazine is sourced from PubChem (CID 64935672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).