1-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]-N-methylmethanamine

C15H24BrN3 — CID 84607264

IUPAC1-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]-N-methylmethanamine
SMILESCNCC1CN(C)CC(C)N1c1ccc(Br)cc1C
InChIInChI=1S/C15H24BrN3/c1-11-7-13(16)5-6-15(11)19-12(2)9-18(4)10-14(19)8-17-3/h5-7,12,14,17H,8-10H2,1-4H3
InChIKeyUKIQSHTXECGEEP-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.49
Rot. Bonds3

About 1-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]-N-methylmethanamine

1-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]-N-methylmethanamine (PubChem CID 84607264) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]-N-methylmethanamine
PubChem CID84607264
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name1-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]-N-methylmethanamine
SMILESCNCC1CN(C)CC(C)N1c1ccc(Br)cc1C
InChIInChI=1S/C15H24BrN3/c1-11-7-13(16)5-6-15(11)19-12(2)9-18(4)10-14(19)8-17-3/h5-7,12,14,17H,8-10H2,1-4H3
InChIKeyUKIQSHTXECGEEP-UHFFFAOYSA-N
XLogP2.49
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]ethanol
CID 84608235
1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511575
2-[1-(4-bromophenyl)-4,6-dimethylpiperazin-2-yl]-N-methylethanamine
CID 84607266
1-[1-(4-bromophenyl)-4,6-dimethyl-1,4-diazepan-2-yl]-N-methylmethanamine
CID 84607385
1-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine
CID 84643683
[4-(4-bromo-2-methylphenyl)-1,5,5-trimethylpiperazin-2-yl]methanol
CID 84608205
1-(6-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine
CID 84643714
2-[1-(4-bromophenyl)-4,6-dimethylpiperazin-2-yl]acetic acid
CID 84607969
4-(4-bromo-2-methylphenyl)-6-[2-(methylamino)ethyl]piperazin-2-one
CID 84607052
1-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine
CID 84643450
2-[4-(4-bromo-2-methylphenyl)-1,5,5-trimethylpiperazin-2-yl]acetonitrile
CID 84610854
1-[4-(bromomethyl)-2-methylphenyl]-2-ethyl-5-methylpyrrolidine
CID 107084955

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]-N-methylmethanamine (CID 84607264) is 1-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]-N-methylmethanamine is CNCC1CN(C)CC(C)N1c1ccc(Br)cc1C.
What is the InChIKey of 1-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]-N-methylmethanamine?
The InChIKey is UKIQSHTXECGEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-11-7-13(16)5-6-15(11)19-12(2)9-18(4)10-14(19)8-17-3/h5-7,12,14,17H,8-10H2,1-4H3.
What are the key properties of 1-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]-N-methylmethanamine?
1-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]-N-methylmethanamine has a molecular weight of 326.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 84607264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).