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

C13H21ClN4O — CID 62864691

IUPAC2-chloro-4-(2,4-dimethylpiperidin-1-yl)-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(N2CCC(C)CC2C)n1
InChIInChI=1S/C13H21ClN4O/c1-4-7-19-13-16-11(14)15-12(17-13)18-6-5-9(2)8-10(18)3/h9-10H,4-8H2,1-3H3
InChIKeyHODRZIVITLYNAO-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.94
Rot. Bonds4

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

2-chloro-4-(2,4-dimethylpiperidin-1-yl)-6-propoxy-1,3,5-triazine (PubChem CID 62864691) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-chloro-4-(2,4-dimethylpiperidin-1-yl)-6-propoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2,4-dimethylpiperidin-1-yl)-6-propoxy-1,3,5-triazine
PubChem CID62864691
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name2-chloro-4-(2,4-dimethylpiperidin-1-yl)-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(N2CCC(C)CC2C)n1
InChIInChI=1S/C13H21ClN4O/c1-4-7-19-13-16-11(14)15-12(17-13)18-6-5-9(2)8-10(18)3/h9-10H,4-8H2,1-3H3
InChIKeyHODRZIVITLYNAO-UHFFFAOYSA-N
XLogP2.94
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,4-dimethylpiperidin-1-yl)-6-propoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2,4-dimethylpiperidin-1-yl)-6-propoxy-1,3,5-triazine (CID 62864691) is 2-chloro-4-(2,4-dimethylpiperidin-1-yl)-6-propoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2,4-dimethylpiperidin-1-yl)-6-propoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2,4-dimethylpiperidin-1-yl)-6-propoxy-1,3,5-triazine is CCCOc1nc(Cl)nc(N2CCC(C)CC2C)n1.
What is the InChIKey of 2-chloro-4-(2,4-dimethylpiperidin-1-yl)-6-propoxy-1,3,5-triazine?
The InChIKey is HODRZIVITLYNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-4-7-19-13-16-11(14)15-12(17-13)18-6-5-9(2)8-10(18)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-chloro-4-(2,4-dimethylpiperidin-1-yl)-6-propoxy-1,3,5-triazine?
2-chloro-4-(2,4-dimethylpiperidin-1-yl)-6-propoxy-1,3,5-triazine has a molecular weight of 284.79 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,4-dimethylpiperidin-1-yl)-6-propoxy-1,3,5-triazine is sourced from PubChem (CID 62864691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).