2-N-(1-benzylpiperidin-4-yl)-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine

C24H31N7 — CID 70681744

IUPAC2-N-(1-benzylpiperidin-4-yl)-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCc1cc(C)c(Nc2nc(N)nc(NC3CCN(Cc4ccccc4)CC3)n2)c(C)c1
InChIInChI=1S/C24H31N7/c1-16-13-17(2)21(18(3)14-16)27-24-29-22(25)28-23(30-24)26-20-9-11-31(12-10-20)15-19-7-5-4-6-8-19/h4-8,13-14,20H,9-12,15H2,1-3H3,(H4,25,26,27,28,29,30)
InChIKeyRSWBMYGTQGWXGC-UHFFFAOYSA-N
MW417.56 g/mol
LogP4.20
Rot. Bonds6

About 2-N-(1-benzylpiperidin-4-yl)-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine

2-N-(1-benzylpiperidin-4-yl)-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 70681744) has the molecular formula C24H31N7 and a molecular weight of 417.56 g/mol. Its IUPAC name is 2-N-(1-benzylpiperidin-4-yl)-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(1-benzylpiperidin-4-yl)-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID70681744
Molecular FormulaC24H31N7
Molecular Weight417.56 g/mol
Exact Mass417.26
IUPAC Name2-N-(1-benzylpiperidin-4-yl)-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCc1cc(C)c(Nc2nc(N)nc(NC3CCN(Cc4ccccc4)CC3)n2)c(C)c1
InChIInChI=1S/C24H31N7/c1-16-13-17(2)21(18(3)14-16)27-24-29-22(25)28-23(30-24)26-20-9-11-31(12-10-20)15-19-7-5-4-6-8-19/h4-8,13-14,20H,9-12,15H2,1-3H3,(H4,25,26,27,28,29,30)
InChIKeyRSWBMYGTQGWXGC-UHFFFAOYSA-N
XLogP4.20
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 70681744) is 2-N-(1-benzylpiperidin-4-yl)-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(1-benzylpiperidin-4-yl)-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(1-benzylpiperidin-4-yl)-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine is Cc1cc(C)c(Nc2nc(N)nc(NC3CCN(Cc4ccccc4)CC3)n2)c(C)c1.
What is the InChIKey of 2-N-(1-benzylpiperidin-4-yl)-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is RSWBMYGTQGWXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7/c1-16-13-17(2)21(18(3)14-16)27-24-29-22(25)28-23(30-24)26-20-9-11-31(12-10-20)15-19-7-5-4-6-8-19/h4-8,13-14,20H,9-12,15H2,1-3H3,(H4,25,26,27,28,29,30).
What are the key properties of 2-N-(1-benzylpiperidin-4-yl)-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(1-benzylpiperidin-4-yl)-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 417.56 g/mol, XLogP of 4.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzylpiperidin-4-yl)-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 70681744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).