[1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol

C11H17ClN4O2 — CID 62857029

IUPAC[1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
SMILESCCOc1nc(Cl)nc(N2CCC(CO)CC2)n1
InChIInChI=1S/C11H17ClN4O2/c1-2-18-11-14-9(12)13-10(15-11)16-5-3-8(7-17)4-6-16/h8,17H,2-7H2,1H3
InChIKeyYEIRJIURBLXIJB-UHFFFAOYSA-N
MW272.74 g/mol
LogP1.13
Rot. Bonds4

About [1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol

[1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol (PubChem CID 62857029) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is [1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
PubChem CID62857029
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name[1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
SMILESCCOc1nc(Cl)nc(N2CCC(CO)CC2)n1
InChIInChI=1S/C11H17ClN4O2/c1-2-18-11-14-9(12)13-10(15-11)16-5-3-8(7-17)4-6-16/h8,17H,2-7H2,1H3
InChIKeyYEIRJIURBLXIJB-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
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-ethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol (CID 62857029) is [1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol is CCOc1nc(Cl)nc(N2CCC(CO)CC2)n1.
What is the InChIKey of [1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol?
The InChIKey is YEIRJIURBLXIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-2-18-11-14-9(12)13-10(15-11)16-5-3-8(7-17)4-6-16/h8,17H,2-7H2,1H3.
What are the key properties of [1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol?
[1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol has a molecular weight of 272.74 g/mol, XLogP of 1.13, 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-ethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 62857029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).