1-(4-bromophenyl)-N-methyl-1-piperazin-1-ylmethanamine

C12H18BrN3 — CID 116954778

IUPAC1-(4-bromophenyl)-N-methyl-1-piperazin-1-ylmethanamine
SMILESCNC(c1ccc(Br)cc1)N1CCNCC1
InChIInChI=1S/C12H18BrN3/c1-14-12(16-8-6-15-7-9-16)10-2-4-11(13)5-3-10/h2-5,12,14-15H,6-9H2,1H3
InChIKeyYSCLWMYGGCSHBV-UHFFFAOYSA-N
MW284.20 g/mol
LogP1.57
Rot. Bonds3

About 1-(4-bromophenyl)-N-methyl-1-piperazin-1-ylmethanamine

1-(4-bromophenyl)-N-methyl-1-piperazin-1-ylmethanamine (PubChem CID 116954778) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methyl-1-piperazin-1-ylmethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methyl-1-piperazin-1-ylmethanamine
PubChem CID116954778
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name1-(4-bromophenyl)-N-methyl-1-piperazin-1-ylmethanamine
SMILESCNC(c1ccc(Br)cc1)N1CCNCC1
InChIInChI=1S/C12H18BrN3/c1-14-12(16-8-6-15-7-9-16)10-2-4-11(13)5-3-10/h2-5,12,14-15H,6-9H2,1H3
InChIKeyYSCLWMYGGCSHBV-UHFFFAOYSA-N
XLogP1.57
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
CID 116960974
N-methyl-1-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 116954775
N-methyl-1-(6-methylnaphthalen-2-yl)-1-piperazin-1-ylmethanamine
CID 116954863
1-(3-chloro-4-fluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954827
1-[1-(4-bromophenyl)ethyl]-1,4-diazepane
CID 3804536
1-[bis(4-bromophenyl)methyl]-1,4-diazepane
CID 3760339
1-[1-(4-bromophenyl)-3-methylbutyl]piperazine
CID 82308912
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954841
2-(4-bromophenyl)-2-piperazin-1-ylethanamine
CID 82094058
1-(4-bromophenyl)-N,N-dimethyl-2-piperazin-1-ylpropan-1-amine
CID 116913981
1-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171178570
2-(4-bromophenyl)-2-piperazin-1-ylacetic acid
CID 11145832

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methyl-1-piperazin-1-ylmethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-methyl-1-piperazin-1-ylmethanamine (CID 116954778) is 1-(4-bromophenyl)-N-methyl-1-piperazin-1-ylmethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methyl-1-piperazin-1-ylmethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-methyl-1-piperazin-1-ylmethanamine is CNC(c1ccc(Br)cc1)N1CCNCC1.
What is the InChIKey of 1-(4-bromophenyl)-N-methyl-1-piperazin-1-ylmethanamine?
The InChIKey is YSCLWMYGGCSHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-14-12(16-8-6-15-7-9-16)10-2-4-11(13)5-3-10/h2-5,12,14-15H,6-9H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-methyl-1-piperazin-1-ylmethanamine?
1-(4-bromophenyl)-N-methyl-1-piperazin-1-ylmethanamine has a molecular weight of 284.20 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-methyl-1-piperazin-1-ylmethanamine is sourced from PubChem (CID 116954778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).