2-chloro-4-(1-methylpiperidin-4-yl)oxy-6-piperidin-1-yl-1,3,5-triazine

C14H22ClN5O — CID 62870163

IUPAC2-chloro-4-(1-methylpiperidin-4-yl)oxy-6-piperidin-1-yl-1,3,5-triazine
SMILESCN1CCC(Oc2nc(Cl)nc(N3CCCCC3)n2)CC1
InChIInChI=1S/C14H22ClN5O/c1-19-9-5-11(6-10-19)21-14-17-12(15)16-13(18-14)20-7-3-2-4-8-20/h11H,2-10H2,1H3
InChIKeyROVOOEDATACADI-UHFFFAOYSA-N
MW311.82 g/mol
LogP1.99
Rot. Bonds3

About 2-chloro-4-(1-methylpiperidin-4-yl)oxy-6-piperidin-1-yl-1,3,5-triazine

2-chloro-4-(1-methylpiperidin-4-yl)oxy-6-piperidin-1-yl-1,3,5-triazine (PubChem CID 62870163) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 2-chloro-4-(1-methylpiperidin-4-yl)oxy-6-piperidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(1-methylpiperidin-4-yl)oxy-6-piperidin-1-yl-1,3,5-triazine
PubChem CID62870163
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name2-chloro-4-(1-methylpiperidin-4-yl)oxy-6-piperidin-1-yl-1,3,5-triazine
SMILESCN1CCC(Oc2nc(Cl)nc(N3CCCCC3)n2)CC1
InChIInChI=1S/C14H22ClN5O/c1-19-9-5-11(6-10-19)21-14-17-12(15)16-13(18-14)20-7-3-2-4-8-20/h11H,2-10H2,1H3
InChIKeyROVOOEDATACADI-UHFFFAOYSA-N
XLogP1.99
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-chloro-4-(1-methylpiperidin-4-yl)oxy-6-piperidin-1-yl-1,3,5-triazine 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-chloro-4-(1-methylpiperidin-4-yl)oxy-6-piperidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(1-methylpiperidin-4-yl)oxy-6-piperidin-1-yl-1,3,5-triazine (CID 62870163) is 2-chloro-4-(1-methylpiperidin-4-yl)oxy-6-piperidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(1-methylpiperidin-4-yl)oxy-6-piperidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(1-methylpiperidin-4-yl)oxy-6-piperidin-1-yl-1,3,5-triazine is CN1CCC(Oc2nc(Cl)nc(N3CCCCC3)n2)CC1.
What is the InChIKey of 2-chloro-4-(1-methylpiperidin-4-yl)oxy-6-piperidin-1-yl-1,3,5-triazine?
The InChIKey is ROVOOEDATACADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5O/c1-19-9-5-11(6-10-19)21-14-17-12(15)16-13(18-14)20-7-3-2-4-8-20/h11H,2-10H2,1H3.
What are the key properties of 2-chloro-4-(1-methylpiperidin-4-yl)oxy-6-piperidin-1-yl-1,3,5-triazine?
2-chloro-4-(1-methylpiperidin-4-yl)oxy-6-piperidin-1-yl-1,3,5-triazine has a molecular weight of 311.82 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-methylpiperidin-4-yl)oxy-6-piperidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 62870163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).