2-(4-benzyl-2-methylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine

C15H17Cl2N5 — CID 130766041

IUPAC2-(4-benzyl-2-methylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
SMILESCC1CN(Cc2ccccc2)CCN1c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C15H17Cl2N5/c1-11-9-21(10-12-5-3-2-4-6-12)7-8-22(11)15-19-13(16)18-14(17)20-15/h2-6,11H,7-10H2,1H3
InChIKeyLJVURACGBBXZOJ-UHFFFAOYSA-N
MW338.24 g/mol
LogP2.89
Rot. Bonds3

About 2-(4-benzyl-2-methylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine

2-(4-benzyl-2-methylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine (PubChem CID 130766041) has the molecular formula C15H17Cl2N5 and a molecular weight of 338.24 g/mol. Its IUPAC name is 2-(4-benzyl-2-methylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-benzyl-2-methylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
PubChem CID130766041
Molecular FormulaC15H17Cl2N5
Molecular Weight338.24 g/mol
Exact Mass337.09
IUPAC Name2-(4-benzyl-2-methylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
SMILESCC1CN(Cc2ccccc2)CCN1c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C15H17Cl2N5/c1-11-9-21(10-12-5-3-2-4-6-12)7-8-22(11)15-19-13(16)18-14(17)20-15/h2-6,11H,7-10H2,1H3
InChIKeyLJVURACGBBXZOJ-UHFFFAOYSA-N
XLogP2.89
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
CID 60726999
2-(4-benzyl-2-methylpiperazin-1-yl)-5-bromo-1,3,4-thiadiazole
CID 130766066
4-(4-benzyl-2-methylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine
CID 133460996
4-(4-benzyl-2-methylpiperazin-1-yl)-2-tert-butyl-6-(methoxymethyl)pyrimidine
CID 133402121
4-benzyl-2-methyl-1-methylsulfonylpiperazine
CID 72691051
2-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 22199601
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine
CID 10619455
[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222
(4-benzyl-2-methylpiperazin-1-yl)-phenylmethanone
CID 10708948
2-[[(2R)-4-benzyl-2-methylpiperazin-1-yl]methyl]pyrimidin-4-amine
CID 124576011
4-[(3,4-dichlorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine
CID 22199604

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-2-methylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine?
The IUPAC name of 2-(4-benzyl-2-methylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine (CID 130766041) is 2-(4-benzyl-2-methylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine.
What is the SMILES notation for 2-(4-benzyl-2-methylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine?
The canonical SMILES for 2-(4-benzyl-2-methylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine is CC1CN(Cc2ccccc2)CCN1c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2-(4-benzyl-2-methylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine?
The InChIKey is LJVURACGBBXZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5/c1-11-9-21(10-12-5-3-2-4-6-12)7-8-22(11)15-19-13(16)18-14(17)20-15/h2-6,11H,7-10H2,1H3.
What are the key properties of 2-(4-benzyl-2-methylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine?
2-(4-benzyl-2-methylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine has a molecular weight of 338.24 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2-methylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine is sourced from PubChem (CID 130766041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).