[1-(4-bromo-3-methylphenyl)-4,6,6-trimethylpiperazin-2-yl]methanamine

C15H24BrN3 — CID 84607272

IUPAC[1-(4-bromo-3-methylphenyl)-4,6,6-trimethylpiperazin-2-yl]methanamine
SMILESCc1cc(N2C(CN)CN(C)CC2(C)C)ccc1Br
InChIInChI=1S/C15H24BrN3/c1-11-7-12(5-6-14(11)16)19-13(8-17)9-18(4)10-15(19,2)3/h5-7,13H,8-10,17H2,1-4H3
InChIKeyJUFOVBPEXVBGPR-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.62
Rot. Bonds2

About [1-(4-bromo-3-methylphenyl)-4,6,6-trimethylpiperazin-2-yl]methanamine

[1-(4-bromo-3-methylphenyl)-4,6,6-trimethylpiperazin-2-yl]methanamine (PubChem CID 84607272) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is [1-(4-bromo-3-methylphenyl)-4,6,6-trimethylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(4-bromo-3-methylphenyl)-4,6,6-trimethylpiperazin-2-yl]methanamine
PubChem CID84607272
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name[1-(4-bromo-3-methylphenyl)-4,6,6-trimethylpiperazin-2-yl]methanamine
SMILESCc1cc(N2C(CN)CN(C)CC2(C)C)ccc1Br
InChIInChI=1S/C15H24BrN3/c1-11-7-12(5-6-14(11)16)19-13(8-17)9-18(4)10-15(19,2)3/h5-7,13H,8-10,17H2,1-4H3
InChIKeyJUFOVBPEXVBGPR-UHFFFAOYSA-N
XLogP2.62
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-methylphenyl)-4,6,6-trimethylpiperazin-2-yl]methanamine?
The IUPAC name of [1-(4-bromo-3-methylphenyl)-4,6,6-trimethylpiperazin-2-yl]methanamine (CID 84607272) is [1-(4-bromo-3-methylphenyl)-4,6,6-trimethylpiperazin-2-yl]methanamine.
What is the SMILES notation for [1-(4-bromo-3-methylphenyl)-4,6,6-trimethylpiperazin-2-yl]methanamine?
The canonical SMILES for [1-(4-bromo-3-methylphenyl)-4,6,6-trimethylpiperazin-2-yl]methanamine is Cc1cc(N2C(CN)CN(C)CC2(C)C)ccc1Br.
What is the InChIKey of [1-(4-bromo-3-methylphenyl)-4,6,6-trimethylpiperazin-2-yl]methanamine?
The InChIKey is JUFOVBPEXVBGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-11-7-12(5-6-14(11)16)19-13(8-17)9-18(4)10-15(19,2)3/h5-7,13H,8-10,17H2,1-4H3.
What are the key properties of [1-(4-bromo-3-methylphenyl)-4,6,6-trimethylpiperazin-2-yl]methanamine?
[1-(4-bromo-3-methylphenyl)-4,6,6-trimethylpiperazin-2-yl]methanamine has a molecular weight of 326.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-methylphenyl)-4,6,6-trimethylpiperazin-2-yl]methanamine is sourced from PubChem (CID 84607272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).