2-[4-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

C19H33N7O — CID 1016013

IUPAC2-[4-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)CC1
InChIInChI=1S/C19H33N7O/c27-16-15-23-11-13-26(14-12-23)19-21-17(24-7-3-1-4-8-24)20-18(22-19)25-9-5-2-6-10-25/h27H,1-16H2
InChIKeyJCLYYEJMHMAUPT-UHFFFAOYSA-N
MW375.52 g/mol
LogP0.97
Rot. Bonds5

About 2-[4-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

2-[4-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (PubChem CID 1016013) has the molecular formula C19H33N7O and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-[4-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
PubChem CID1016013
Molecular FormulaC19H33N7O
Molecular Weight375.52 g/mol
Exact Mass375.27
IUPAC Name2-[4-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)CC1
InChIInChI=1S/C19H33N7O/c27-16-15-23-11-13-26(14-12-23)19-21-17(24-7-3-1-4-8-24)20-18(22-19)25-9-5-2-6-10-25/h27H,1-16H2
InChIKeyJCLYYEJMHMAUPT-UHFFFAOYSA-N
XLogP0.97
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (CID 1016013) is 2-[4-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is OCCN1CCN(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)CC1.
What is the InChIKey of 2-[4-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is JCLYYEJMHMAUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N7O/c27-16-15-23-11-13-26(14-12-23)19-21-17(24-7-3-1-4-8-24)20-18(22-19)25-9-5-2-6-10-25/h27H,1-16H2.
What are the key properties of 2-[4-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
2-[4-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 375.52 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 1016013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).