1-[3-bromo-4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine

C15H24BrN3 — CID 102771028

IUPAC1-[3-bromo-4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(CN2CCN(C)C(C)C2)c(Br)c1
InChIInChI=1S/C15H24BrN3/c1-12-10-19(7-6-18(12)3)11-14-5-4-13(9-17-2)8-15(14)16/h4-5,8,12,17H,6-7,9-11H2,1-3H3
InChIKeyUHIZFLBYWCLCJA-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.30
Rot. Bonds4

About 1-[3-bromo-4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine

1-[3-bromo-4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine (PubChem CID 102771028) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[3-bromo-4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
PubChem CID102771028
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name1-[3-bromo-4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(CN2CCN(C)C(C)C2)c(Br)c1
InChIInChI=1S/C15H24BrN3/c1-12-10-19(7-6-18(12)3)11-14-5-4-13(9-17-2)8-15(14)16/h4-5,8,12,17H,6-7,9-11H2,1-3H3
InChIKeyUHIZFLBYWCLCJA-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-bromo-4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102771048
1-[3-bromo-4-[(3-propoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102768549
4-bromo-3-[(3,4-dimethylpiperazin-1-yl)methyl]phenol
CID 82980054
N-[[3-bromo-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 102768872
1-[3-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102771573
4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline
CID 63621224
N-[[3-bromo-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 102768820
1-[3-bromo-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102769052
1-[4-fluoro-3-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 107455791
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 55216612
2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
CID 105347692
1-[3-bromo-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]-N-methylmethanamine
CID 102770635

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine (CID 102771028) is 1-[3-bromo-4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine is CNCc1ccc(CN2CCN(C)C(C)C2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine?
The InChIKey is UHIZFLBYWCLCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-12-10-19(7-6-18(12)3)11-14-5-4-13(9-17-2)8-15(14)16/h4-5,8,12,17H,6-7,9-11H2,1-3H3.
What are the key properties of 1-[3-bromo-4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine?
1-[3-bromo-4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine has a molecular weight of 326.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 102771028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).