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

C15H25Cl2N5 — CID 126477522

IUPAC2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine;hydrochloride
SMILESCC1CCN(c2nc(Cl)nc(N3CCC(C)CC3)n2)CC1.Cl
InChIInChI=1S/C15H24ClN5.ClH/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;1H
InChIKeyJJGXAXKLBRSFFN-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.42
Rot. Bonds2

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

2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine;hydrochloride (PubChem CID 126477522) has the molecular formula C15H25Cl2N5 and a molecular weight of 346.31 g/mol. Its IUPAC name is 2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine;hydrochloride.

Molecular Properties

Compound Name2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine;hydrochloride
PubChem CID126477522
Molecular FormulaC15H25Cl2N5
Molecular Weight346.31 g/mol
Exact Mass345.15
IUPAC Name2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine;hydrochloride
SMILESCC1CCN(c2nc(Cl)nc(N3CCC(C)CC3)n2)CC1.Cl
InChIInChI=1S/C15H24ClN5.ClH/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;1H
InChIKeyJJGXAXKLBRSFFN-UHFFFAOYSA-N
XLogP3.42
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.42
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;hydrochloride?
The IUPAC name of 2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine;hydrochloride (CID 126477522) is 2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine;hydrochloride.
What is the SMILES notation for 2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine;hydrochloride?
The canonical SMILES for 2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine;hydrochloride is CC1CCN(c2nc(Cl)nc(N3CCC(C)CC3)n2)CC1.Cl.
What is the InChIKey of 2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine;hydrochloride?
The InChIKey is JJGXAXKLBRSFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5.ClH/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;1H.
What are the key properties of 2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine;hydrochloride?
2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine;hydrochloride has a molecular weight of 346.31 g/mol, XLogP of 3.42, 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;hydrochloride is sourced from PubChem (CID 126477522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).