N-[(3,4-dibromophenyl)methyl]-4-methylpiperazin-1-amine

C12H17Br2N3 — CID 113483310

IUPACN-[(3,4-dibromophenyl)methyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(NCc2ccc(Br)c(Br)c2)CC1
InChIInChI=1S/C12H17Br2N3/c1-16-4-6-17(7-5-16)15-9-10-2-3-11(13)12(14)8-10/h2-3,8,15H,4-7,9H2,1H3
InChIKeyPJGOBKROYZWBKQ-UHFFFAOYSA-N
MW363.10 g/mol
LogP2.46
Rot. Bonds3

About N-[(3,4-dibromophenyl)methyl]-4-methylpiperazin-1-amine

N-[(3,4-dibromophenyl)methyl]-4-methylpiperazin-1-amine (PubChem CID 113483310) has the molecular formula C12H17Br2N3 and a molecular weight of 363.10 g/mol. Its IUPAC name is N-[(3,4-dibromophenyl)methyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[(3,4-dibromophenyl)methyl]-4-methylpiperazin-1-amine
PubChem CID113483310
Molecular FormulaC12H17Br2N3
Molecular Weight363.10 g/mol
Exact Mass360.98
IUPAC NameN-[(3,4-dibromophenyl)methyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(NCc2ccc(Br)c(Br)c2)CC1
InChIInChI=1S/C12H17Br2N3/c1-16-4-6-17(7-5-16)15-9-10-2-3-11(13)12(14)8-10/h2-3,8,15H,4-7,9H2,1H3
InChIKeyPJGOBKROYZWBKQ-UHFFFAOYSA-N
XLogP2.46
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.10
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(4-methylphenyl)methyl]piperazin-1-amine
CID 80503110
N-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 115693200
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine
CID 83010258
N-[(3-bromo-4-chlorophenyl)methyl]morpholin-4-amine
CID 83230853
4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine
CID 83008958
4-methyl-N-[(5-methyl-3-pyridinyl)methyl]piperazin-1-amine
CID 102881009
N-[(3,4-dibromophenyl)methyl]ethanamine
CID 115692981
N-[[3-bromo-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 102768820
[5-[[(4-methylpiperazin-1-yl)amino]methyl]furan-2-yl]methanol
CID 83009491
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-1-amine
CID 91170986
N-[(4-bromo-3-methylphenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 66472783
N-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-1-amine
CID 80503148

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dibromophenyl)methyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[(3,4-dibromophenyl)methyl]-4-methylpiperazin-1-amine (CID 113483310) is N-[(3,4-dibromophenyl)methyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[(3,4-dibromophenyl)methyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[(3,4-dibromophenyl)methyl]-4-methylpiperazin-1-amine is CN1CCN(NCc2ccc(Br)c(Br)c2)CC1.
What is the InChIKey of N-[(3,4-dibromophenyl)methyl]-4-methylpiperazin-1-amine?
The InChIKey is PJGOBKROYZWBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2N3/c1-16-4-6-17(7-5-16)15-9-10-2-3-11(13)12(14)8-10/h2-3,8,15H,4-7,9H2,1H3.
What are the key properties of N-[(3,4-dibromophenyl)methyl]-4-methylpiperazin-1-amine?
N-[(3,4-dibromophenyl)methyl]-4-methylpiperazin-1-amine has a molecular weight of 363.10 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dibromophenyl)methyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 113483310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).