1-(4-bromothiophen-2-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine

C13H22BrN3S — CID 115415031

IUPAC1-(4-bromothiophen-2-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
SMILESCN1CCN(C)C(CC(N)Cc2cc(Br)cs2)C1
InChIInChI=1S/C13H22BrN3S/c1-16-3-4-17(2)12(8-16)6-11(15)7-13-5-10(14)9-18-13/h5,9,11-12H,3-4,6-8,15H2,1-2H3
InChIKeyPCWFBMYJRFWLPY-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.02
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine

1-(4-bromothiophen-2-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine (PubChem CID 115415031) has the molecular formula C13H22BrN3S and a molecular weight of 332.31 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
PubChem CID115415031
Molecular FormulaC13H22BrN3S
Molecular Weight332.31 g/mol
Exact Mass331.07
IUPAC Name1-(4-bromothiophen-2-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
SMILESCN1CCN(C)C(CC(N)Cc2cc(Br)cs2)C1
InChIInChI=1S/C13H22BrN3S/c1-16-3-4-17(2)12(8-16)6-11(15)7-13-5-10(14)9-18-13/h5,9,11-12H,3-4,6-8,15H2,1-2H3
InChIKeyPCWFBMYJRFWLPY-UHFFFAOYSA-N
XLogP2.02
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 114932554
1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415115
[2-(4-bromothiophen-2-yl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 105261330
1-(1,4-dimethylpiperazin-2-yl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-amine
CID 115415163
1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine
CID 82923377
1-(1,4-dimethylpiperazin-2-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
CID 115414992
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 114659608
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 106762883
[1-(1,4-dimethylpiperazin-2-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 105260267
1-(3-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol
CID 115414918
2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 65425884
2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol
CID 115414917

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine (CID 115415031) is 1-(4-bromothiophen-2-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine is CN1CCN(C)C(CC(N)Cc2cc(Br)cs2)C1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine?
The InChIKey is PCWFBMYJRFWLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3S/c1-16-3-4-17(2)12(8-16)6-11(15)7-13-5-10(14)9-18-13/h5,9,11-12H,3-4,6-8,15H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine?
1-(4-bromothiophen-2-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine has a molecular weight of 332.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine is sourced from PubChem (CID 115415031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).