1-(3-bromo-2-methylphenyl)-3-cyclohexylpiperazine

C17H25BrN2 — CID 107639855

IUPAC1-(3-bromo-2-methylphenyl)-3-cyclohexylpiperazine
SMILESCc1c(Br)cccc1N1CCNC(C2CCCCC2)C1
InChIInChI=1S/C17H25BrN2/c1-13-15(18)8-5-9-17(13)20-11-10-19-16(12-20)14-6-3-2-4-7-14/h5,8-9,14,16,19H,2-4,6-7,10-12H2,1H3
InChIKeyRHTDPHYTRLJZTA-UHFFFAOYSA-N
MW337.31 g/mol
LogP4.12
Rot. Bonds2

About 1-(3-bromo-2-methylphenyl)-3-cyclohexylpiperazine

1-(3-bromo-2-methylphenyl)-3-cyclohexylpiperazine (PubChem CID 107639855) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-3-cyclohexylpiperazine.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-3-cyclohexylpiperazine
PubChem CID107639855
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name1-(3-bromo-2-methylphenyl)-3-cyclohexylpiperazine
SMILESCc1c(Br)cccc1N1CCNC(C2CCCCC2)C1
InChIInChI=1S/C17H25BrN2/c1-13-15(18)8-5-9-17(13)20-11-10-19-16(12-20)14-6-3-2-4-7-14/h5,8-9,14,16,19H,2-4,6-7,10-12H2,1H3
InChIKeyRHTDPHYTRLJZTA-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-3-cyclohexylpiperazine?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-3-cyclohexylpiperazine (CID 107639855) is 1-(3-bromo-2-methylphenyl)-3-cyclohexylpiperazine.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-3-cyclohexylpiperazine?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-3-cyclohexylpiperazine is Cc1c(Br)cccc1N1CCNC(C2CCCCC2)C1.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-3-cyclohexylpiperazine?
The InChIKey is RHTDPHYTRLJZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-13-15(18)8-5-9-17(13)20-11-10-19-16(12-20)14-6-3-2-4-7-14/h5,8-9,14,16,19H,2-4,6-7,10-12H2,1H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-3-cyclohexylpiperazine?
1-(3-bromo-2-methylphenyl)-3-cyclohexylpiperazine has a molecular weight of 337.31 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-3-cyclohexylpiperazine is sourced from PubChem (CID 107639855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).