2-chloro-4-(3-methoxypiperidin-1-yl)-6-propoxy-1,3,5-triazine

C12H19ClN4O2 — CID 102963297

IUPAC2-chloro-4-(3-methoxypiperidin-1-yl)-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(N2CCCC(OC)C2)n1
InChIInChI=1S/C12H19ClN4O2/c1-3-7-19-12-15-10(13)14-11(16-12)17-6-4-5-9(8-17)18-2/h9H,3-8H2,1-2H3
InChIKeyGHDBINWZIAOWIK-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.93
Rot. Bonds5

About 2-chloro-4-(3-methoxypiperidin-1-yl)-6-propoxy-1,3,5-triazine

2-chloro-4-(3-methoxypiperidin-1-yl)-6-propoxy-1,3,5-triazine (PubChem CID 102963297) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-chloro-4-(3-methoxypiperidin-1-yl)-6-propoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3-methoxypiperidin-1-yl)-6-propoxy-1,3,5-triazine
PubChem CID102963297
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name2-chloro-4-(3-methoxypiperidin-1-yl)-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(N2CCCC(OC)C2)n1
InChIInChI=1S/C12H19ClN4O2/c1-3-7-19-12-15-10(13)14-11(16-12)17-6-4-5-9(8-17)18-2/h9H,3-8H2,1-2H3
InChIKeyGHDBINWZIAOWIK-UHFFFAOYSA-N
XLogP1.93
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)azepane
CID 62869524
2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol
CID 107228423
2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-6-propoxy-1,3,5-triazine
CID 64597022
1-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627067
2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine
CID 62857566
2-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-6-propoxy-1,3,5-triazine
CID 107394111
4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one
CID 65363708
1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62859553
2-chloro-4-(2,4-dimethylpiperidin-1-yl)-6-propoxy-1,3,5-triazine
CID 62864691
4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80793428
2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol
CID 62870210
2-chloro-4-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazine
CID 62869646

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-methoxypiperidin-1-yl)-6-propoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3-methoxypiperidin-1-yl)-6-propoxy-1,3,5-triazine (CID 102963297) is 2-chloro-4-(3-methoxypiperidin-1-yl)-6-propoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3-methoxypiperidin-1-yl)-6-propoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3-methoxypiperidin-1-yl)-6-propoxy-1,3,5-triazine is CCCOc1nc(Cl)nc(N2CCCC(OC)C2)n1.
What is the InChIKey of 2-chloro-4-(3-methoxypiperidin-1-yl)-6-propoxy-1,3,5-triazine?
The InChIKey is GHDBINWZIAOWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-3-7-19-12-15-10(13)14-11(16-12)17-6-4-5-9(8-17)18-2/h9H,3-8H2,1-2H3.
What are the key properties of 2-chloro-4-(3-methoxypiperidin-1-yl)-6-propoxy-1,3,5-triazine?
2-chloro-4-(3-methoxypiperidin-1-yl)-6-propoxy-1,3,5-triazine has a molecular weight of 286.76 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-methoxypiperidin-1-yl)-6-propoxy-1,3,5-triazine is sourced from PubChem (CID 102963297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).