1-(3-bromophenyl)-N-methyl-3-piperazin-1-ylbutan-1-amine

C15H24BrN3 — CID 116960927

IUPAC1-(3-bromophenyl)-N-methyl-3-piperazin-1-ylbutan-1-amine
SMILESCNC(CC(C)N1CCNCC1)c1cccc(Br)c1
InChIInChI=1S/C15H24BrN3/c1-12(19-8-6-18-7-9-19)10-15(17-2)13-4-3-5-14(16)11-13/h3-5,11-12,15,17-18H,6-10H2,1-2H3
InChIKeyOGJJQGUNRJLRJB-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.39
Rot. Bonds5

About 1-(3-bromophenyl)-N-methyl-3-piperazin-1-ylbutan-1-amine

1-(3-bromophenyl)-N-methyl-3-piperazin-1-ylbutan-1-amine (PubChem CID 116960927) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-methyl-3-piperazin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-methyl-3-piperazin-1-ylbutan-1-amine
PubChem CID116960927
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name1-(3-bromophenyl)-N-methyl-3-piperazin-1-ylbutan-1-amine
SMILESCNC(CC(C)N1CCNCC1)c1cccc(Br)c1
InChIInChI=1S/C15H24BrN3/c1-12(19-8-6-18-7-9-19)10-15(17-2)13-4-3-5-14(16)11-13/h3-5,11-12,15,17-18H,6-10H2,1-2H3
InChIKeyOGJJQGUNRJLRJB-UHFFFAOYSA-N
XLogP2.39
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine
CID 116960921
1-[bis(3-bromophenyl)methyl]piperazine
CID 3761882
N-methyl-3-piperazin-1-yl-1-thiophen-2-ylbutan-1-amine
CID 116960914
1-[1-(3-bromophenyl)propan-2-yl]piperazine
CID 82024249
1-(3-bromophenyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 62618370
1-[(1R)-1-(3-bromophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310660
1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171273335
1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine
CID 62612497
1-[(1R)-1-(3-bromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171273311
1-[(1S)-1-(3-bromophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171273339
1-[(1R)-1-(3-bromophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171285967
1-[(3-bromophenyl)-pyridin-4-ylmethyl]piperazine
CID 3592490

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-methyl-3-piperazin-1-ylbutan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-N-methyl-3-piperazin-1-ylbutan-1-amine (CID 116960927) is 1-(3-bromophenyl)-N-methyl-3-piperazin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-methyl-3-piperazin-1-ylbutan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-methyl-3-piperazin-1-ylbutan-1-amine is CNC(CC(C)N1CCNCC1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-methyl-3-piperazin-1-ylbutan-1-amine?
The InChIKey is OGJJQGUNRJLRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-12(19-8-6-18-7-9-19)10-15(17-2)13-4-3-5-14(16)11-13/h3-5,11-12,15,17-18H,6-10H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-methyl-3-piperazin-1-ylbutan-1-amine?
1-(3-bromophenyl)-N-methyl-3-piperazin-1-ylbutan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-methyl-3-piperazin-1-ylbutan-1-amine is sourced from PubChem (CID 116960927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).