N-(4-ethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

C21H30N6O — CID 1113670

IUPACN-(4-ethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCCOc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C21H30N6O/c1-2-28-18-11-9-17(10-12-18)22-19-23-20(26-13-5-3-6-14-26)25-21(24-19)27-15-7-4-8-16-27/h9-12H,2-8,13-16H2,1H3,(H,22,23,24,25)
InChIKeyMATPYEQHJKYWGO-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.99
Rot. Bonds6

About N-(4-ethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

N-(4-ethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 1113670) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
PubChem CID1113670
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC NameN-(4-ethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCCOc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C21H30N6O/c1-2-28-18-11-9-17(10-12-18)22-19-23-20(26-13-5-3-6-14-26)25-21(24-19)27-15-7-4-8-16-27/h9-12H,2-8,13-16H2,1H3,(H,22,23,24,25)
InChIKeyMATPYEQHJKYWGO-UHFFFAOYSA-N
XLogP3.99
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-ethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (CID 1113670) is N-(4-ethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is CCOc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is MATPYEQHJKYWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-2-28-18-11-9-17(10-12-18)22-19-23-20(26-13-5-3-6-14-26)25-21(24-19)27-15-7-4-8-16-27/h9-12H,2-8,13-16H2,1H3,(H,22,23,24,25).
What are the key properties of N-(4-ethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
N-(4-ethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 382.51 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 1113670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).