1-(4-bromophenyl)-N,N-dimethyl-2-piperazin-1-ylpropan-1-amine

C15H24BrN3 — CID 116913981

IUPAC1-(4-bromophenyl)-N,N-dimethyl-2-piperazin-1-ylpropan-1-amine
SMILESCC(C(c1ccc(Br)cc1)N(C)C)N1CCNCC1
InChIInChI=1S/C15H24BrN3/c1-12(19-10-8-17-9-11-19)15(18(2)3)13-4-6-14(16)7-5-13/h4-7,12,15,17H,8-11H2,1-3H3
InChIKeyNTZAWRREPQWSMG-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.35
Rot. Bonds4

About 1-(4-bromophenyl)-N,N-dimethyl-2-piperazin-1-ylpropan-1-amine

1-(4-bromophenyl)-N,N-dimethyl-2-piperazin-1-ylpropan-1-amine (PubChem CID 116913981) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N,N-dimethyl-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N,N-dimethyl-2-piperazin-1-ylpropan-1-amine
PubChem CID116913981
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name1-(4-bromophenyl)-N,N-dimethyl-2-piperazin-1-ylpropan-1-amine
SMILESCC(C(c1ccc(Br)cc1)N(C)C)N1CCNCC1
InChIInChI=1S/C15H24BrN3/c1-12(19-10-8-17-9-11-19)15(18(2)3)13-4-6-14(16)7-5-13/h4-7,12,15,17H,8-11H2,1-3H3
InChIKeyNTZAWRREPQWSMG-UHFFFAOYSA-N
XLogP2.35
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
CID 116960974
1-[1-(4-bromophenyl)ethyl]-1,4-diazepane
CID 3804536
1-[1-(4-bromophenyl)-3-methylbutyl]piperazine
CID 82308912
1-(4-bromophenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954778
2-(4-bromophenyl)-2-piperazin-1-ylethanamine
CID 82094058
1-[bis(4-bromophenyl)methyl]-1,4-diazepane
CID 3760339
1-(4-bromophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine
CID 116909752
1-[2-(4-bromophenyl)propyl]-1,4-diazepane
CID 82094588
1-(5-bromo-2-methylphenyl)-N,N-dimethyl-1-piperazin-1-ylmethanamine
CID 116909703
1-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171178570
2-(4-bromophenyl)-2-piperazin-1-ylacetic acid
CID 11145832
1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine
CID 3836641

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N,N-dimethyl-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N,N-dimethyl-2-piperazin-1-ylpropan-1-amine (CID 116913981) is 1-(4-bromophenyl)-N,N-dimethyl-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N,N-dimethyl-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N,N-dimethyl-2-piperazin-1-ylpropan-1-amine is CC(C(c1ccc(Br)cc1)N(C)C)N1CCNCC1.
What is the InChIKey of 1-(4-bromophenyl)-N,N-dimethyl-2-piperazin-1-ylpropan-1-amine?
The InChIKey is NTZAWRREPQWSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-12(19-10-8-17-9-11-19)15(18(2)3)13-4-6-14(16)7-5-13/h4-7,12,15,17H,8-11H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-N,N-dimethyl-2-piperazin-1-ylpropan-1-amine?
1-(4-bromophenyl)-N,N-dimethyl-2-piperazin-1-ylpropan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N,N-dimethyl-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 116913981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).