1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine

C16H24BrClN2 — CID 64939430

IUPAC1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine
SMILESCCCC1CN(c2cc(Br)ccc2Cl)C(C(C)C)CN1
InChIInChI=1S/C16H24BrClN2/c1-4-5-13-10-20(16(9-19-13)11(2)3)15-8-12(17)6-7-14(15)18/h6-8,11,13,16,19H,4-5,9-10H2,1-3H3
InChIKeyIKSNRHSEILOTPE-UHFFFAOYSA-N
MW359.74 g/mol
LogP4.71
Rot. Bonds4

About 1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine

1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine (PubChem CID 64939430) has the molecular formula C16H24BrClN2 and a molecular weight of 359.74 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine
PubChem CID64939430
Molecular FormulaC16H24BrClN2
Molecular Weight359.74 g/mol
Exact Mass358.08
IUPAC Name1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine
SMILESCCCC1CN(c2cc(Br)ccc2Cl)C(C(C)C)CN1
InChIInChI=1S/C16H24BrClN2/c1-4-5-13-10-20(16(9-19-13)11(2)3)15-8-12(17)6-7-14(15)18/h6-8,11,13,16,19H,4-5,9-10H2,1-3H3
InChIKeyIKSNRHSEILOTPE-UHFFFAOYSA-N
XLogP4.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64934509
1-(4-bromo-2-chlorophenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64935887
1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine
CID 64937611
1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64946893
1-(5-chloro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64933308
1-(2,5-dibromophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64936125
1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine
CID 64942138
1-(2-bromo-5-chloro-4-methylphenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 104725347
1-(4-fluoro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64932857
2-propan-2-yl-5-propyl-1-(2,3,5-trifluorophenyl)piperazine
CID 64940187
1-(3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64933006
1-(2-bromo-4,6-difluorophenyl)-2-propan-2-yl-5-propylpiperazine
CID 64935312

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine (CID 64939430) is 1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine is CCCC1CN(c2cc(Br)ccc2Cl)C(C(C)C)CN1.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine?
The InChIKey is IKSNRHSEILOTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrClN2/c1-4-5-13-10-20(16(9-19-13)11(2)3)15-8-12(17)6-7-14(15)18/h6-8,11,13,16,19H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine?
1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine has a molecular weight of 359.74 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine is sourced from PubChem (CID 64939430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).