1-(5-bromothiophen-2-yl)-1-(4-butan-2-ylpiperazin-1-yl)propan-2-amine

C15H26BrN3S — CID 62773231

IUPAC1-(5-bromothiophen-2-yl)-1-(4-butan-2-ylpiperazin-1-yl)propan-2-amine
SMILESCCC(C)N1CCN(C(c2ccc(Br)s2)C(C)N)CC1
InChIInChI=1S/C15H26BrN3S/c1-4-11(2)18-7-9-19(10-8-18)15(12(3)17)13-5-6-14(16)20-13/h5-6,11-12,15H,4,7-10,17H2,1-3H3
InChIKeyULUOIPKNVVIVCO-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.32
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-1-(4-butan-2-ylpiperazin-1-yl)propan-2-amine

1-(5-bromothiophen-2-yl)-1-(4-butan-2-ylpiperazin-1-yl)propan-2-amine (PubChem CID 62773231) has the molecular formula C15H26BrN3S and a molecular weight of 360.37 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-1-(4-butan-2-ylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-1-(4-butan-2-ylpiperazin-1-yl)propan-2-amine
PubChem CID62773231
Molecular FormulaC15H26BrN3S
Molecular Weight360.37 g/mol
Exact Mass359.10
IUPAC Name1-(5-bromothiophen-2-yl)-1-(4-butan-2-ylpiperazin-1-yl)propan-2-amine
SMILESCCC(C)N1CCN(C(c2ccc(Br)s2)C(C)N)CC1
InChIInChI=1S/C15H26BrN3S/c1-4-11(2)18-7-9-19(10-8-18)15(12(3)17)13-5-6-14(16)20-13/h5-6,11-12,15H,4,7-10,17H2,1-3H3
InChIKeyULUOIPKNVVIVCO-UHFFFAOYSA-N
XLogP3.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-1-(4-butan-2-ylpiperazin-1-yl)propan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-1-(4-butan-2-ylpiperazin-1-yl)propan-2-amine (CID 62773231) is 1-(5-bromothiophen-2-yl)-1-(4-butan-2-ylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-1-(4-butan-2-ylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-1-(4-butan-2-ylpiperazin-1-yl)propan-2-amine is CCC(C)N1CCN(C(c2ccc(Br)s2)C(C)N)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-1-(4-butan-2-ylpiperazin-1-yl)propan-2-amine?
The InChIKey is ULUOIPKNVVIVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3S/c1-4-11(2)18-7-9-19(10-8-18)15(12(3)17)13-5-6-14(16)20-13/h5-6,11-12,15H,4,7-10,17H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-1-(4-butan-2-ylpiperazin-1-yl)propan-2-amine?
1-(5-bromothiophen-2-yl)-1-(4-butan-2-ylpiperazin-1-yl)propan-2-amine has a molecular weight of 360.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-1-(4-butan-2-ylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 62773231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).