2,4-bis(2,6-dimethylpiperidin-1-yl)-6-methoxy-1,3,5-triazine

C18H31N5O — CID 5338436

IUPAC2,4-bis(2,6-dimethylpiperidin-1-yl)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(N2C(C)CCCC2C)nc(N2C(C)CCCC2C)n1
InChIInChI=1S/C18H31N5O/c1-12-8-6-9-13(2)22(12)16-19-17(21-18(20-16)24-5)23-14(3)10-7-11-15(23)4/h12-15H,6-11H2,1-5H3
InChIKeyZGBFDIHQDNXQAB-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.41
Rot. Bonds3

About 2,4-bis(2,6-dimethylpiperidin-1-yl)-6-methoxy-1,3,5-triazine

2,4-bis(2,6-dimethylpiperidin-1-yl)-6-methoxy-1,3,5-triazine (PubChem CID 5338436) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 2,4-bis(2,6-dimethylpiperidin-1-yl)-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(2,6-dimethylpiperidin-1-yl)-6-methoxy-1,3,5-triazine
PubChem CID5338436
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name2,4-bis(2,6-dimethylpiperidin-1-yl)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(N2C(C)CCCC2C)nc(N2C(C)CCCC2C)n1
InChIInChI=1S/C18H31N5O/c1-12-8-6-9-13(2)22(12)16-19-17(21-18(20-16)24-5)23-14(3)10-7-11-15(23)4/h12-15H,6-11H2,1-5H3
InChIKeyZGBFDIHQDNXQAB-UHFFFAOYSA-N
XLogP3.41
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 162403833
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CID 162403944
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CID 162403949
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CID 168341416
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CID 154789781
CID 154789781

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2,6-dimethylpiperidin-1-yl)-6-methoxy-1,3,5-triazine?
The IUPAC name of 2,4-bis(2,6-dimethylpiperidin-1-yl)-6-methoxy-1,3,5-triazine (CID 5338436) is 2,4-bis(2,6-dimethylpiperidin-1-yl)-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(2,6-dimethylpiperidin-1-yl)-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2,4-bis(2,6-dimethylpiperidin-1-yl)-6-methoxy-1,3,5-triazine is COc1nc(N2C(C)CCCC2C)nc(N2C(C)CCCC2C)n1.
What is the InChIKey of 2,4-bis(2,6-dimethylpiperidin-1-yl)-6-methoxy-1,3,5-triazine?
The InChIKey is ZGBFDIHQDNXQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-12-8-6-9-13(2)22(12)16-19-17(21-18(20-16)24-5)23-14(3)10-7-11-15(23)4/h12-15H,6-11H2,1-5H3.
What are the key properties of 2,4-bis(2,6-dimethylpiperidin-1-yl)-6-methoxy-1,3,5-triazine?
2,4-bis(2,6-dimethylpiperidin-1-yl)-6-methoxy-1,3,5-triazine has a molecular weight of 333.48 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2,6-dimethylpiperidin-1-yl)-6-methoxy-1,3,5-triazine is sourced from PubChem (CID 5338436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).