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

C15H24ClN5 — CID 4007843

IUPAC2-chloro-4,6-bis(2-methylpiperidin-1-yl)-1,3,5-triazine
SMILESCC1CCCCN1c1nc(Cl)nc(N2CCCCC2C)n1
InChIInChI=1S/C15H24ClN5/c1-11-7-3-5-9-20(11)14-17-13(16)18-15(19-14)21-10-6-4-8-12(21)2/h11-12H,3-10H2,1-2H3
InChIKeyVMLHWBORKYUJSA-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.28
Rot. Bonds2

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

2-chloro-4,6-bis(2-methylpiperidin-1-yl)-1,3,5-triazine (PubChem CID 4007843) has the molecular formula C15H24ClN5 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-chloro-4,6-bis(2-methylpiperidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-bis(2-methylpiperidin-1-yl)-1,3,5-triazine
PubChem CID4007843
Molecular FormulaC15H24ClN5
Molecular Weight309.84 g/mol
Exact Mass309.17
IUPAC Name2-chloro-4,6-bis(2-methylpiperidin-1-yl)-1,3,5-triazine
SMILESCC1CCCCN1c1nc(Cl)nc(N2CCCCC2C)n1
InChIInChI=1S/C15H24ClN5/c1-11-7-3-5-9-20(11)14-17-13(16)18-15(19-14)21-10-6-4-8-12(21)2/h11-12H,3-10H2,1-2H3
InChIKeyVMLHWBORKYUJSA-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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(2-methylpiperidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-bis(2-methylpiperidin-1-yl)-1,3,5-triazine (CID 4007843) is 2-chloro-4,6-bis(2-methylpiperidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-bis(2-methylpiperidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-bis(2-methylpiperidin-1-yl)-1,3,5-triazine is CC1CCCCN1c1nc(Cl)nc(N2CCCCC2C)n1.
What is the InChIKey of 2-chloro-4,6-bis(2-methylpiperidin-1-yl)-1,3,5-triazine?
The InChIKey is VMLHWBORKYUJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5/c1-11-7-3-5-9-20(11)14-17-13(16)18-15(19-14)21-10-6-4-8-12(21)2/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-chloro-4,6-bis(2-methylpiperidin-1-yl)-1,3,5-triazine?
2-chloro-4,6-bis(2-methylpiperidin-1-yl)-1,3,5-triazine has a molecular weight of 309.84 g/mol, XLogP of 3.28, 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(2-methylpiperidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 4007843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).