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

C11H17ClN4O2 — CID 107394056

IUPAC2-chloro-4-methoxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3,5-triazine
SMILESCOc1nc(Cl)nc(N2CCCC(C)(OC)C2)n1
InChIInChI=1S/C11H17ClN4O2/c1-11(18-3)5-4-6-16(7-11)9-13-8(12)14-10(15-9)17-2/h4-7H2,1-3H3
InChIKeyFBVQYFHMGNQKNM-UHFFFAOYSA-N
MW272.74 g/mol
LogP1.54
Rot. Bonds3

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

2-chloro-4-methoxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3,5-triazine (PubChem CID 107394056) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3,5-triazine
PubChem CID107394056
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name2-chloro-4-methoxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3,5-triazine
SMILESCOc1nc(Cl)nc(N2CCCC(C)(OC)C2)n1
InChIInChI=1S/C11H17ClN4O2/c1-11(18-3)5-4-6-16(7-11)9-13-8(12)14-10(15-9)17-2/h4-7H2,1-3H3
InChIKeyFBVQYFHMGNQKNM-UHFFFAOYSA-N
XLogP1.54
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methoxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3,5-triazine (CID 107394056) is 2-chloro-4-methoxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methoxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methoxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3,5-triazine is COc1nc(Cl)nc(N2CCCC(C)(OC)C2)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3,5-triazine?
The InChIKey is FBVQYFHMGNQKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-11(18-3)5-4-6-16(7-11)9-13-8(12)14-10(15-9)17-2/h4-7H2,1-3H3.
What are the key properties of 2-chloro-4-methoxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3,5-triazine?
2-chloro-4-methoxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3,5-triazine has a molecular weight of 272.74 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 107394056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).