1-(3-bromo-4-methylphenyl)-5-tert-butyl-2-methylpiperazine

C16H25BrN2 — CID 64940047

IUPAC1-(3-bromo-4-methylphenyl)-5-tert-butyl-2-methylpiperazine
SMILESCc1ccc(N2CC(C(C)(C)C)NCC2C)cc1Br
InChIInChI=1S/C16H25BrN2/c1-11-6-7-13(8-14(11)17)19-10-15(16(3,4)5)18-9-12(19)2/h6-8,12,15,18H,9-10H2,1-5H3
InChIKeyGHXDWFIHWBMSNK-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.97
Rot. Bonds1

About 1-(3-bromo-4-methylphenyl)-5-tert-butyl-2-methylpiperazine

1-(3-bromo-4-methylphenyl)-5-tert-butyl-2-methylpiperazine (PubChem CID 64940047) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-5-tert-butyl-2-methylpiperazine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-5-tert-butyl-2-methylpiperazine
PubChem CID64940047
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-(3-bromo-4-methylphenyl)-5-tert-butyl-2-methylpiperazine
SMILESCc1ccc(N2CC(C(C)(C)C)NCC2C)cc1Br
InChIInChI=1S/C16H25BrN2/c1-11-6-7-13(8-14(11)17)19-10-15(16(3,4)5)18-9-12(19)2/h6-8,12,15,18H,9-10H2,1-5H3
InChIKeyGHXDWFIHWBMSNK-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(5-tert-butyl-2-methylpiperazin-1-yl)-1,3-benzothiazole
CID 107806691
1-(2-bromo-4-fluorophenyl)-5-tert-butyl-2-methylpiperazine
CID 64934142
1-(3-bromo-4-methylphenyl)-2-methyl-1,4-diazepane
CID 82307433
1-(3-bromo-4-methylphenyl)-2,5,5-trimethylpiperazine
CID 64940433
1-(3-bromo-4-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine
CID 104781812
1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine
CID 64940819
(2S,5R)-1-(4-bromophenyl)-2,5-dimethylpiperazine
CID 95472777
1-(4-bromo-3-chlorophenyl)-2,5-dimethylpiperazine
CID 107617341
5-tert-butyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine
CID 64947289
5-tert-butyl-2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine
CID 64931595
[4-(3-bromo-4-methylphenyl)-1,5-dimethyl-1,4-diazepan-2-yl]methanamine
CID 84607333
1-(3-bromo-4-methylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64940242

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-5-tert-butyl-2-methylpiperazine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-5-tert-butyl-2-methylpiperazine (CID 64940047) is 1-(3-bromo-4-methylphenyl)-5-tert-butyl-2-methylpiperazine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-5-tert-butyl-2-methylpiperazine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-5-tert-butyl-2-methylpiperazine is Cc1ccc(N2CC(C(C)(C)C)NCC2C)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-5-tert-butyl-2-methylpiperazine?
The InChIKey is GHXDWFIHWBMSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-11-6-7-13(8-14(11)17)19-10-15(16(3,4)5)18-9-12(19)2/h6-8,12,15,18H,9-10H2,1-5H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-5-tert-butyl-2-methylpiperazine?
1-(3-bromo-4-methylphenyl)-5-tert-butyl-2-methylpiperazine has a molecular weight of 325.29 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-5-tert-butyl-2-methylpiperazine is sourced from PubChem (CID 64940047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).