1-(2-bromo-4-propan-2-ylphenyl)-4-methylpiperazine

C14H21BrN2 — CID 177267387

IUPAC1-(2-bromo-4-propan-2-ylphenyl)-4-methylpiperazine
SMILESCC(C)c1ccc(N2CCN(C)CC2)c(Br)c1
InChIInChI=1S/C14H21BrN2/c1-11(2)12-4-5-14(13(15)10-12)17-8-6-16(3)7-9-17/h4-5,10-11H,6-9H2,1-3H3
InChIKeyTWQAUXWGZOLYGZ-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.32
Rot. Bonds2

About 1-(2-bromo-4-propan-2-ylphenyl)-4-methylpiperazine

1-(2-bromo-4-propan-2-ylphenyl)-4-methylpiperazine (PubChem CID 177267387) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-(2-bromo-4-propan-2-ylphenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-4-propan-2-ylphenyl)-4-methylpiperazine
PubChem CID177267387
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-(2-bromo-4-propan-2-ylphenyl)-4-methylpiperazine
SMILESCC(C)c1ccc(N2CCN(C)CC2)c(Br)c1
InChIInChI=1S/C14H21BrN2/c1-11(2)12-4-5-14(13(15)10-12)17-8-6-16(3)7-9-17/h4-5,10-11H,6-9H2,1-3H3
InChIKeyTWQAUXWGZOLYGZ-UHFFFAOYSA-N
XLogP3.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-propan-2-ylphenyl)-4-methylpiperazine?
The IUPAC name of 1-(2-bromo-4-propan-2-ylphenyl)-4-methylpiperazine (CID 177267387) is 1-(2-bromo-4-propan-2-ylphenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-bromo-4-propan-2-ylphenyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-bromo-4-propan-2-ylphenyl)-4-methylpiperazine is CC(C)c1ccc(N2CCN(C)CC2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-propan-2-ylphenyl)-4-methylpiperazine?
The InChIKey is TWQAUXWGZOLYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-11(2)12-4-5-14(13(15)10-12)17-8-6-16(3)7-9-17/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 1-(2-bromo-4-propan-2-ylphenyl)-4-methylpiperazine?
1-(2-bromo-4-propan-2-ylphenyl)-4-methylpiperazine has a molecular weight of 297.24 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-propan-2-ylphenyl)-4-methylpiperazine is sourced from PubChem (CID 177267387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).