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

C13H21ClN4O2 — CID 107394111

IUPAC2-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(N2CCCC(C)(OC)C2)n1
InChIInChI=1S/C13H21ClN4O2/c1-4-8-20-12-16-10(14)15-11(17-12)18-7-5-6-13(2,9-18)19-3/h4-9H2,1-3H3
InChIKeyAFTZCFILQKBCBJ-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.32
Rot. Bonds5

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

2-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-6-propoxy-1,3,5-triazine (PubChem CID 107394111) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-6-propoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-6-propoxy-1,3,5-triazine
PubChem CID107394111
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name2-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(N2CCCC(C)(OC)C2)n1
InChIInChI=1S/C13H21ClN4O2/c1-4-8-20-12-16-10(14)15-11(17-12)18-7-5-6-13(2,9-18)19-3/h4-9H2,1-3H3
InChIKeyAFTZCFILQKBCBJ-UHFFFAOYSA-N
XLogP2.32
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-6-propoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-6-propoxy-1,3,5-triazine (CID 107394111) is 2-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-6-propoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-6-propoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-6-propoxy-1,3,5-triazine is CCCOc1nc(Cl)nc(N2CCCC(C)(OC)C2)n1.
What is the InChIKey of 2-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-6-propoxy-1,3,5-triazine?
The InChIKey is AFTZCFILQKBCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-4-8-20-12-16-10(14)15-11(17-12)18-7-5-6-13(2,9-18)19-3/h4-9H2,1-3H3.
What are the key properties of 2-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-6-propoxy-1,3,5-triazine?
2-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-6-propoxy-1,3,5-triazine has a molecular weight of 300.79 g/mol, XLogP of 2.32, 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-methoxy-3-methylpiperidin-1-yl)-6-propoxy-1,3,5-triazine is sourced from PubChem (CID 107394111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).