1-(2-bromophenyl)-3-cyclohexylpiperazine

C16H23BrN2 — CID 64926277

IUPAC1-(2-bromophenyl)-3-cyclohexylpiperazine
SMILESBrc1ccccc1N1CCNC(C2CCCCC2)C1
InChIInChI=1S/C16H23BrN2/c17-14-8-4-5-9-16(14)19-11-10-18-15(12-19)13-6-2-1-3-7-13/h4-5,8-9,13,15,18H,1-3,6-7,10-12H2
InChIKeyYLHGOCDRDHOSIG-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.81
Rot. Bonds2

About 1-(2-bromophenyl)-3-cyclohexylpiperazine

1-(2-bromophenyl)-3-cyclohexylpiperazine (PubChem CID 64926277) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-cyclohexylpiperazine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-cyclohexylpiperazine
PubChem CID64926277
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC Name1-(2-bromophenyl)-3-cyclohexylpiperazine
SMILESBrc1ccccc1N1CCNC(C2CCCCC2)C1
InChIInChI=1S/C16H23BrN2/c17-14-8-4-5-9-16(14)19-11-10-18-15(12-19)13-6-2-1-3-7-13/h4-5,8-9,13,15,18H,1-3,6-7,10-12H2
InChIKeyYLHGOCDRDHOSIG-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-methylphenyl)-3-cyclohexylpiperazine
CID 107639855
1-(2-bromo-6-fluorophenyl)-3-cyclohexylpiperazine
CID 107603913
3-cyclohexyl-1-(2,3-difluorophenyl)piperazine
CID 64924730
3-cyclohexyl-1-(2,5-dibromophenyl)-1,4-diazepane
CID 64943616
1-(2-bromo-5-fluorophenyl)-3-cyclohexyl-1,4-diazepane
CID 107640057
3-cyclohexyl-1-(2,3-dimethylphenyl)-1,4-diazepane
CID 64944097
[4-(2-bromophenyl)piperazin-2-yl]methanamine
CID 117026881
3-cyclohexyl-1-(4-methyl-3-pyridinyl)piperazine
CID 64952009
3-cyclohexyl-1-(2-fluoro-4-methylphenyl)piperazine
CID 64925423
3-cyclopropyl-1-(2-fluorophenyl)-1,4-diazepane
CID 64943298
3-cyclopropyl-1-[2-(methoxymethyl)phenyl]piperazine
CID 64926120
3-cyclohexyl-1-(3,5-dimethylphenyl)piperazine
CID 64925415

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-cyclohexylpiperazine?
The IUPAC name of 1-(2-bromophenyl)-3-cyclohexylpiperazine (CID 64926277) is 1-(2-bromophenyl)-3-cyclohexylpiperazine.
What is the SMILES notation for 1-(2-bromophenyl)-3-cyclohexylpiperazine?
The canonical SMILES for 1-(2-bromophenyl)-3-cyclohexylpiperazine is Brc1ccccc1N1CCNC(C2CCCCC2)C1.
What is the InChIKey of 1-(2-bromophenyl)-3-cyclohexylpiperazine?
The InChIKey is YLHGOCDRDHOSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c17-14-8-4-5-9-16(14)19-11-10-18-15(12-19)13-6-2-1-3-7-13/h4-5,8-9,13,15,18H,1-3,6-7,10-12H2.
What are the key properties of 1-(2-bromophenyl)-3-cyclohexylpiperazine?
1-(2-bromophenyl)-3-cyclohexylpiperazine has a molecular weight of 323.28 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-cyclohexylpiperazine is sourced from PubChem (CID 64926277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).