1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-ol

C8H12ClN5O — CID 53407989

IUPAC1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-ol
SMILESNc1nc(Cl)nc(N2CCC(O)CC2)n1
InChIInChI=1S/C8H12ClN5O/c9-6-11-7(10)13-8(12-6)14-3-1-5(15)2-4-14/h5,15H,1-4H2,(H2,10,11,12,13)
InChIKeyMQFWNYSJYNARGV-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.07
Rot. Bonds1

About 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-ol

1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-ol (PubChem CID 53407989) has the molecular formula C8H12ClN5O and a molecular weight of 229.67 g/mol. Its IUPAC name is 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-ol
PubChem CID53407989
Molecular FormulaC8H12ClN5O
Molecular Weight229.67 g/mol
Exact Mass229.07
IUPAC Name1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-ol
SMILESNc1nc(Cl)nc(N2CCC(O)CC2)n1
InChIInChI=1S/C8H12ClN5O/c9-6-11-7(10)13-8(12-6)14-3-1-5(15)2-4-14/h5,15H,1-4H2,(H2,10,11,12,13)
InChIKeyMQFWNYSJYNARGV-UHFFFAOYSA-N
XLogP0.07
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-ol?
The IUPAC name of 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-ol (CID 53407989) is 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-ol.
What is the SMILES notation for 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-ol?
The canonical SMILES for 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-ol is Nc1nc(Cl)nc(N2CCC(O)CC2)n1.
What is the InChIKey of 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-ol?
The InChIKey is MQFWNYSJYNARGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN5O/c9-6-11-7(10)13-8(12-6)14-3-1-5(15)2-4-14/h5,15H,1-4H2,(H2,10,11,12,13).
What are the key properties of 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-ol?
1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-ol has a molecular weight of 229.67 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-ol is sourced from PubChem (CID 53407989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).