2-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane

C14H20ClN5 — CID 62863250

IUPAC2-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane
SMILESClc1nc(N2CCCCC2)nc(N2CC3CCC2C3)n1
InChIInChI=1S/C14H20ClN5/c15-12-16-13(19-6-2-1-3-7-19)18-14(17-12)20-9-10-4-5-11(20)8-10/h10-11H,1-9H2
InChIKeyGAMQXZCUNVZPTN-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.50
Rot. Bonds2

About 2-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane

2-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane (PubChem CID 62863250) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane
PubChem CID62863250
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC Name2-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane
SMILESClc1nc(N2CCCCC2)nc(N2CC3CCC2C3)n1
InChIInChI=1S/C14H20ClN5/c15-12-16-13(19-6-2-1-3-7-19)18-14(17-12)20-9-10-4-5-11(20)8-10/h10-11H,1-9H2
InChIKeyGAMQXZCUNVZPTN-UHFFFAOYSA-N
XLogP2.50
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane (CID 62863250) is 2-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane is Clc1nc(N2CCCCC2)nc(N2CC3CCC2C3)n1.
What is the InChIKey of 2-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is GAMQXZCUNVZPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5/c15-12-16-13(19-6-2-1-3-7-19)18-14(17-12)20-9-10-4-5-11(20)8-10/h10-11H,1-9H2.
What are the key properties of 2-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane?
2-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 293.80 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 62863250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).