N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

C23H34N6O2 — CID 1303751

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCOc1ccc(CCNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1OC
InChIInChI=1S/C23H34N6O2/c1-30-19-10-9-18(17-20(19)31-2)11-12-24-21-25-22(28-13-5-3-6-14-28)27-23(26-21)29-15-7-4-8-16-29/h9-10,17H,3-8,11-16H2,1-2H3,(H,24,25,26,27)
InChIKeyNYKHZQZVEDDAKR-UHFFFAOYSA-N
MW426.57 g/mol
LogP3.52
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 1303751) has the molecular formula C23H34N6O2 and a molecular weight of 426.57 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
PubChem CID1303751
Molecular FormulaC23H34N6O2
Molecular Weight426.57 g/mol
Exact Mass426.27
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCOc1ccc(CCNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1OC
InChIInChI=1S/C23H34N6O2/c1-30-19-10-9-18(17-20(19)31-2)11-12-24-21-25-22(28-13-5-3-6-14-28)27-23(26-21)29-15-7-4-8-16-29/h9-10,17H,3-8,11-16H2,1-2H3,(H,24,25,26,27)
InChIKeyNYKHZQZVEDDAKR-UHFFFAOYSA-N
XLogP3.52
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (CID 1303751) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is COc1ccc(CCNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is NYKHZQZVEDDAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O2/c1-30-19-10-9-18(17-20(19)31-2)11-12-24-21-25-22(28-13-5-3-6-14-28)27-23(26-21)29-15-7-4-8-16-29/h9-10,17H,3-8,11-16H2,1-2H3,(H,24,25,26,27).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 426.57 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 1303751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).