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

C15H24ClN5 — CID 698431

IUPAC2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine
SMILESCC1CCN(c2nc(Cl)nc(N3CCC(C)CC3)n2)CC1
InChIInChI=1S/C15H24ClN5/c1-11-3-7-20(8-4-11)14-17-13(16)18-15(19-14)21-9-5-12(2)6-10-21/h11-12H,3-10H2,1-2H3
InChIKeySFLYWOXMKIQCEW-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.00
Rot. Bonds2

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

2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine (PubChem CID 698431) has the molecular formula C15H24ClN5 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine
PubChem CID698431
Molecular FormulaC15H24ClN5
Molecular Weight309.84 g/mol
Exact Mass309.17
IUPAC Name2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine
SMILESCC1CCN(c2nc(Cl)nc(N3CCC(C)CC3)n2)CC1
InChIInChI=1S/C15H24ClN5/c1-11-3-7-20(8-4-11)14-17-13(16)18-15(19-14)21-9-5-12(2)6-10-21/h11-12H,3-10H2,1-2H3
InChIKeySFLYWOXMKIQCEW-UHFFFAOYSA-N
XLogP3.00
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine (CID 698431) is 2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine is CC1CCN(c2nc(Cl)nc(N3CCC(C)CC3)n2)CC1.
What is the InChIKey of 2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine?
The InChIKey is SFLYWOXMKIQCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5/c1-11-3-7-20(8-4-11)14-17-13(16)18-15(19-14)21-9-5-12(2)6-10-21/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine?
2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine has a molecular weight of 309.84 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 698431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).