4-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline

C15H24BrN3 — CID 62559865

IUPAC4-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
SMILESCC(C)N1CCN(CCNc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H24BrN3/c1-13(2)19-11-9-18(10-12-19)8-7-17-15-5-3-14(16)4-6-15/h3-6,13,17H,7-12H2,1-2H3
InChIKeyUDXUSRVYJUFPME-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.89
Rot. Bonds5

About 4-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline

4-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline (PubChem CID 62559865) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
PubChem CID62559865
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name4-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
SMILESCC(C)N1CCN(CCNc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H24BrN3/c1-13(2)19-11-9-18(10-12-19)8-7-17-15-5-3-14(16)4-6-15/h3-6,13,17H,7-12H2,1-2H3
InChIKeyUDXUSRVYJUFPME-UHFFFAOYSA-N
XLogP2.89
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline?
The IUPAC name of 4-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline (CID 62559865) is 4-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline.
What is the SMILES notation for 4-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline?
The canonical SMILES for 4-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline is CC(C)N1CCN(CCNc2ccc(Br)cc2)CC1.
What is the InChIKey of 4-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline?
The InChIKey is UDXUSRVYJUFPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-13(2)19-11-9-18(10-12-19)8-7-17-15-5-3-14(16)4-6-15/h3-6,13,17H,7-12H2,1-2H3.
What are the key properties of 4-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline?
4-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline has a molecular weight of 326.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline is sourced from PubChem (CID 62559865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).