1-(2-bromo-5-methylphenyl)-2,5,5-trimethylpiperazine

C14H21BrN2 — CID 82759229

IUPAC1-(2-bromo-5-methylphenyl)-2,5,5-trimethylpiperazine
SMILESCc1ccc(Br)c(N2CC(C)(C)NCC2C)c1
InChIInChI=1S/C14H21BrN2/c1-10-5-6-12(15)13(7-10)17-9-14(3,4)16-8-11(17)2/h5-7,11,16H,8-9H2,1-4H3
InChIKeyWBGLSJLQZXMBJX-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.33
Rot. Bonds1

About 1-(2-bromo-5-methylphenyl)-2,5,5-trimethylpiperazine

1-(2-bromo-5-methylphenyl)-2,5,5-trimethylpiperazine (PubChem CID 82759229) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-2,5,5-trimethylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-2,5,5-trimethylpiperazine
PubChem CID82759229
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-(2-bromo-5-methylphenyl)-2,5,5-trimethylpiperazine
SMILESCc1ccc(Br)c(N2CC(C)(C)NCC2C)c1
InChIInChI=1S/C14H21BrN2/c1-10-5-6-12(15)13(7-10)17-9-14(3,4)16-8-11(17)2/h5-7,11,16H,8-9H2,1-4H3
InChIKeyWBGLSJLQZXMBJX-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-1-phenethyl-piperidin-4-amine
CID 52934003
1-(m-Tolyl)piperazine
CID 83111
2-Methyl-1-(m-tolyl)piperazine
CID 2723804
1-(m-Tolyl)piperazine dihydrochloride
CID 83110
1-(3-Methylphenyl)piperazine dihydrochloride hydrate
CID 12227894
1-((4-Bromophenyl)methyl)-4-phenylpiperazine
CID 764228
Acetanilide, 2'-bromo-2-(diethylamino)-5'-ethyl-
CID 56377
1-(2-Bromophenyl)piperazine
CID 2757153
2-Bromo-N,N,5-trimethylaniline
CID 3355354
1-(3-Ethylphenyl)piperazine hydrochloride
CID 19911472
1-(3-Methylphenyl)piperidin-3-amine
CID 57310870
2-bromo-N-(2-piperidin-1-ylethyl)aniline;hydrochloride
CID 137649623

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-2,5,5-trimethylpiperazine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-2,5,5-trimethylpiperazine (CID 82759229) is 1-(2-bromo-5-methylphenyl)-2,5,5-trimethylpiperazine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-2,5,5-trimethylpiperazine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-2,5,5-trimethylpiperazine is Cc1ccc(Br)c(N2CC(C)(C)NCC2C)c1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-2,5,5-trimethylpiperazine?
The InChIKey is WBGLSJLQZXMBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-10-5-6-12(15)13(7-10)17-9-14(3,4)16-8-11(17)2/h5-7,11,16H,8-9H2,1-4H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-2,5,5-trimethylpiperazine?
1-(2-bromo-5-methylphenyl)-2,5,5-trimethylpiperazine has a molecular weight of 297.24 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-2,5,5-trimethylpiperazine is sourced from PubChem (CID 82759229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).