2-chloro-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine

C10H15ClN4O — CID 706525

IUPAC2-chloro-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C10H15ClN4O/c1-2-16-10-13-8(11)12-9(14-10)15-6-4-3-5-7-15/h2-7H2,1H3
InChIKeyLTXQFKXQUHOQET-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.91
Rot. Bonds3

About 2-chloro-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine

2-chloro-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine (PubChem CID 706525) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine
PubChem CID706525
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name2-chloro-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C10H15ClN4O/c1-2-16-10-13-8(11)12-9(14-10)15-6-4-3-5-7-15/h2-7H2,1H3
InChIKeyLTXQFKXQUHOQET-UHFFFAOYSA-N
XLogP1.91
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine (CID 706525) is 2-chloro-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine is CCOc1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 2-chloro-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine?
The InChIKey is LTXQFKXQUHOQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-2-16-10-13-8(11)12-9(14-10)15-6-4-3-5-7-15/h2-7H2,1H3.
What are the key properties of 2-chloro-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine?
2-chloro-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine has a molecular weight of 242.71 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 706525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).