6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine

C23H28N6O — CID 1397715

IUPAC6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)nc(CN3CCC(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C23H28N6O/c1-30-20-9-7-19(8-10-20)25-23-27-21(26-22(24)28-23)16-29-13-11-18(12-14-29)15-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3,(H3,24,25,26,27,28)
InChIKeyWDYIDAUIWRIEAK-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.66
Rot. Bonds7

About 6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine

6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 1397715) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID1397715
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)nc(CN3CCC(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C23H28N6O/c1-30-20-9-7-19(8-10-20)25-23-27-21(26-22(24)28-23)16-29-13-11-18(12-14-29)15-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3,(H3,24,25,26,27,28)
InChIKeyWDYIDAUIWRIEAK-UHFFFAOYSA-N
XLogP3.66
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 1397715) is 6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(N)nc(CN3CCC(Cc4ccccc4)CC3)n2)cc1.
What is the InChIKey of 6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WDYIDAUIWRIEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-30-20-9-7-19(8-10-20)25-23-27-21(26-22(24)28-23)16-29-13-11-18(12-14-29)15-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3,(H3,24,25,26,27,28).
What are the key properties of 6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 404.52 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1397715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).