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

C18H33N5O+2 — CID 162403949

IUPAC2,4-bis(1-ethylpiperidin-1-ium-1-yl)-6-methoxy-1,3,5-triazine
SMILESCC[N+]1(c2nc(OC)nc([N+]3(CC)CCCCC3)n2)CCCCC1
InChIInChI=1S/C18H33N5O/c1-4-22(12-8-6-9-13-22)16-19-17(21-18(20-16)24-3)23(5-2)14-10-7-11-15-23/h4-15H2,1-3H3/q+2
InChIKeyDHLHZJDGCZRQAR-UHFFFAOYSA-N
MW335.50 g/mol
LogP2.90
Rot. Bonds5

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

2,4-bis(1-ethylpiperidin-1-ium-1-yl)-6-methoxy-1,3,5-triazine (PubChem CID 162403949) has the molecular formula C18H33N5O+2 and a molecular weight of 335.50 g/mol. Its IUPAC name is 2,4-bis(1-ethylpiperidin-1-ium-1-yl)-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(1-ethylpiperidin-1-ium-1-yl)-6-methoxy-1,3,5-triazine
PubChem CID162403949
Molecular FormulaC18H33N5O+2
Molecular Weight335.50 g/mol
Exact Mass335.27
IUPAC Name2,4-bis(1-ethylpiperidin-1-ium-1-yl)-6-methoxy-1,3,5-triazine
SMILESCC[N+]1(c2nc(OC)nc([N+]3(CC)CCCCC3)n2)CCCCC1
InChIInChI=1S/C18H33N5O/c1-4-22(12-8-6-9-13-22)16-19-17(21-18(20-16)24-3)23(5-2)14-10-7-11-15-23/h4-15H2,1-3H3/q+2
InChIKeyDHLHZJDGCZRQAR-UHFFFAOYSA-N
XLogP2.90
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

CID 204417
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CID 969866
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CID 3158768
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CID 2827031
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CID 224972
CID 224972
CID 611667
CID 611667
CID 816732
CID 816732
CID 18420077
CID 18420077
CID 719062
CID 719062
CID 708104
CID 708104
CID 162403833
CID 162403833
CID 162403944
CID 162403944

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(1-ethylpiperidin-1-ium-1-yl)-6-methoxy-1,3,5-triazine?
The IUPAC name of 2,4-bis(1-ethylpiperidin-1-ium-1-yl)-6-methoxy-1,3,5-triazine (CID 162403949) is 2,4-bis(1-ethylpiperidin-1-ium-1-yl)-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(1-ethylpiperidin-1-ium-1-yl)-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2,4-bis(1-ethylpiperidin-1-ium-1-yl)-6-methoxy-1,3,5-triazine is CC[N+]1(c2nc(OC)nc([N+]3(CC)CCCCC3)n2)CCCCC1.
What is the InChIKey of 2,4-bis(1-ethylpiperidin-1-ium-1-yl)-6-methoxy-1,3,5-triazine?
The InChIKey is DHLHZJDGCZRQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O/c1-4-22(12-8-6-9-13-22)16-19-17(21-18(20-16)24-3)23(5-2)14-10-7-11-15-23/h4-15H2,1-3H3/q+2.
What are the key properties of 2,4-bis(1-ethylpiperidin-1-ium-1-yl)-6-methoxy-1,3,5-triazine?
2,4-bis(1-ethylpiperidin-1-ium-1-yl)-6-methoxy-1,3,5-triazine has a molecular weight of 335.50 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(1-ethylpiperidin-1-ium-1-yl)-6-methoxy-1,3,5-triazine is sourced from PubChem (CID 162403949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).