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

C9H13ClN4O — CID 611667

IUPAC2-chloro-4-methoxy-6-piperidin-1-yl-1,3,5-triazine
SMILESCOc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C9H13ClN4O/c1-15-9-12-7(10)11-8(13-9)14-5-3-2-4-6-14/h2-6H2,1H3
InChIKeyFORMMFVGAMPGOY-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.52
Rot. Bonds2

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

2-chloro-4-methoxy-6-piperidin-1-yl-1,3,5-triazine (PubChem CID 611667) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-piperidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-piperidin-1-yl-1,3,5-triazine
PubChem CID611667
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name2-chloro-4-methoxy-6-piperidin-1-yl-1,3,5-triazine
SMILESCOc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C9H13ClN4O/c1-15-9-12-7(10)11-8(13-9)14-5-3-2-4-6-14/h2-6H2,1H3
InChIKeyFORMMFVGAMPGOY-UHFFFAOYSA-N
XLogP1.52
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-piperidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methoxy-6-piperidin-1-yl-1,3,5-triazine (CID 611667) is 2-chloro-4-methoxy-6-piperidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methoxy-6-piperidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methoxy-6-piperidin-1-yl-1,3,5-triazine is COc1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-piperidin-1-yl-1,3,5-triazine?
The InChIKey is FORMMFVGAMPGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-15-9-12-7(10)11-8(13-9)14-5-3-2-4-6-14/h2-6H2,1H3.
What are the key properties of 2-chloro-4-methoxy-6-piperidin-1-yl-1,3,5-triazine?
2-chloro-4-methoxy-6-piperidin-1-yl-1,3,5-triazine has a molecular weight of 228.68 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-piperidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 611667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).