2-chloro-4-(4-methoxypiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazine

C14H22ClN5O — CID 62862992

IUPAC2-chloro-4-(4-methoxypiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazine
SMILESCOC1CCN(c2nc(Cl)nc(N3CCCCC3)n2)CC1
InChIInChI=1S/C14H22ClN5O/c1-21-11-5-9-20(10-6-11)14-17-12(15)16-13(18-14)19-7-3-2-4-8-19/h11H,2-10H2,1H3
InChIKeyAUHDSHFJAKHKFD-UHFFFAOYSA-N
MW311.82 g/mol
LogP2.13
Rot. Bonds3

About 2-chloro-4-(4-methoxypiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazine

2-chloro-4-(4-methoxypiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazine (PubChem CID 62862992) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 2-chloro-4-(4-methoxypiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(4-methoxypiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazine
PubChem CID62862992
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name2-chloro-4-(4-methoxypiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazine
SMILESCOC1CCN(c2nc(Cl)nc(N3CCCCC3)n2)CC1
InChIInChI=1S/C14H22ClN5O/c1-21-11-5-9-20(10-6-11)14-17-12(15)16-13(18-14)19-7-3-2-4-8-19/h11H,2-10H2,1H3
InChIKeyAUHDSHFJAKHKFD-UHFFFAOYSA-N
XLogP2.13
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methoxypiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(4-methoxypiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazine (CID 62862992) is 2-chloro-4-(4-methoxypiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(4-methoxypiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(4-methoxypiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazine is COC1CCN(c2nc(Cl)nc(N3CCCCC3)n2)CC1.
What is the InChIKey of 2-chloro-4-(4-methoxypiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazine?
The InChIKey is AUHDSHFJAKHKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5O/c1-21-11-5-9-20(10-6-11)14-17-12(15)16-13(18-14)19-7-3-2-4-8-19/h11H,2-10H2,1H3.
What are the key properties of 2-chloro-4-(4-methoxypiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazine?
2-chloro-4-(4-methoxypiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazine has a molecular weight of 311.82 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methoxypiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 62862992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).