2,4-dimethoxy-6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,5-triazine

C17H23N5O3 — CID 171705210

IUPAC2,4-dimethoxy-6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCC(COc3cccc(C)n3)CC2)n1
InChIInChI=1S/C17H23N5O3/c1-12-5-4-6-14(18-12)25-11-13-7-9-22(10-8-13)15-19-16(23-2)21-17(20-15)24-3/h4-6,13H,7-11H2,1-3H3
InChIKeyFIEILMUNKFANKQ-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.89
Rot. Bonds6

About 2,4-dimethoxy-6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,5-triazine

2,4-dimethoxy-6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,5-triazine (PubChem CID 171705210) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2,4-dimethoxy-6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,5-triazine
PubChem CID171705210
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name2,4-dimethoxy-6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCC(COc3cccc(C)n3)CC2)n1
InChIInChI=1S/C17H23N5O3/c1-12-5-4-6-14(18-12)25-11-13-7-9-22(10-8-13)15-19-16(23-2)21-17(20-15)24-3/h4-6,13H,7-11H2,1-3H3
InChIKeyFIEILMUNKFANKQ-UHFFFAOYSA-N
XLogP1.89
TPSA82.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,5-triazine (CID 171705210) is 2,4-dimethoxy-6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,5-triazine is COc1nc(OC)nc(N2CCC(COc3cccc(C)n3)CC2)n1.
What is the InChIKey of 2,4-dimethoxy-6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,5-triazine?
The InChIKey is FIEILMUNKFANKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12-5-4-6-14(18-12)25-11-13-7-9-22(10-8-13)15-19-16(23-2)21-17(20-15)24-3/h4-6,13H,7-11H2,1-3H3.
What are the key properties of 2,4-dimethoxy-6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,5-triazine?
2,4-dimethoxy-6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,5-triazine has a molecular weight of 345.40 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,5-triazine is sourced from PubChem (CID 171705210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).