1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine

C16H26BrN3 — CID 114537143

IUPAC1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine
SMILESCC(N)C(c1ccc(Br)cc1)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C16H26BrN3/c1-11-9-20(10-12(2)19(11)4)16(13(3)18)14-5-7-15(17)8-6-14/h5-8,11-13,16H,9-10,18H2,1-4H3
InChIKeyDTVWQWVQHCHLHF-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.86
Rot. Bonds3

About 1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine

1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine (PubChem CID 114537143) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine
PubChem CID114537143
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC Name1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine
SMILESCC(N)C(c1ccc(Br)cc1)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C16H26BrN3/c1-11-9-20(10-12(2)19(11)4)16(13(3)18)14-5-7-15(17)8-6-14/h5-8,11-13,16H,9-10,18H2,1-4H3
InChIKeyDTVWQWVQHCHLHF-UHFFFAOYSA-N
XLogP2.86
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-1-(2-methylmorpholin-4-yl)propan-2-amine
CID 55016115
1-(4-bromophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 114538607
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(4-bromophenyl)propan-2-amine
CID 63405923
1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine
CID 63603789
1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidine-3,4-diol
CID 106667890
1-(4-bromophenyl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 79926191
1-(4-bromophenyl)-1-(1,4-thiazepan-4-yl)propan-2-amine
CID 55015691
1-[2-amino-1-(4-bromophenyl)butyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81451292
(1S)-1-[3-bromo-4-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 104937425
1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine
CID 63603808
1-(4-bromothiophen-2-yl)-1-(3,4,5-trimethylpiperazin-1-yl)butan-2-amine
CID 114537167
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(4-bromophenyl)propan-2-amine
CID 63406015

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine (CID 114537143) is 1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine is CC(N)C(c1ccc(Br)cc1)N1CC(C)N(C)C(C)C1.
What is the InChIKey of 1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine?
The InChIKey is DTVWQWVQHCHLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-11-9-20(10-12(2)19(11)4)16(13(3)18)14-5-7-15(17)8-6-14/h5-8,11-13,16H,9-10,18H2,1-4H3.
What are the key properties of 1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine?
1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine has a molecular weight of 340.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 114537143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).