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

C11H17ClN4O2 — CID 55124578

IUPAC1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-4-ol
SMILESCCCOc1nc(Cl)nc(N2CCC(O)CC2)n1
InChIInChI=1S/C11H17ClN4O2/c1-2-7-18-11-14-9(12)13-10(15-11)16-5-3-8(17)4-6-16/h8,17H,2-7H2,1H3
InChIKeyQDIVJGPHPPPLEJ-UHFFFAOYSA-N
MW272.74 g/mol
LogP1.27
Rot. Bonds4

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

1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-4-ol (PubChem CID 55124578) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-4-ol
PubChem CID55124578
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-4-ol
SMILESCCCOc1nc(Cl)nc(N2CCC(O)CC2)n1
InChIInChI=1S/C11H17ClN4O2/c1-2-7-18-11-14-9(12)13-10(15-11)16-5-3-8(17)4-6-16/h8,17H,2-7H2,1H3
InChIKeyQDIVJGPHPPPLEJ-UHFFFAOYSA-N
XLogP1.27
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-4-ol?
The IUPAC name of 1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-4-ol (CID 55124578) is 1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-4-ol.
What is the SMILES notation for 1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-4-ol?
The canonical SMILES for 1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-4-ol is CCCOc1nc(Cl)nc(N2CCC(O)CC2)n1.
What is the InChIKey of 1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-4-ol?
The InChIKey is QDIVJGPHPPPLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-2-7-18-11-14-9(12)13-10(15-11)16-5-3-8(17)4-6-16/h8,17H,2-7H2,1H3.
What are the key properties of 1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-4-ol?
1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-4-ol has a molecular weight of 272.74 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-4-ol is sourced from PubChem (CID 55124578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).