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

C13H21ClN4O2 — CID 62870210

IUPAC2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol
SMILESCCCOc1nc(Cl)nc(N2CCCCC2CCO)n1
InChIInChI=1S/C13H21ClN4O2/c1-2-9-20-13-16-11(14)15-12(17-13)18-7-4-3-5-10(18)6-8-19/h10,19H,2-9H2,1H3
InChIKeyQOJFLLOURGVPOD-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.06
Rot. Bonds6

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

2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol (PubChem CID 62870210) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol
PubChem CID62870210
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol
SMILESCCCOc1nc(Cl)nc(N2CCCCC2CCO)n1
InChIInChI=1S/C13H21ClN4O2/c1-2-9-20-13-16-11(14)15-12(17-13)18-7-4-3-5-10(18)6-8-19/h10,19H,2-9H2,1H3
InChIKeyQOJFLLOURGVPOD-UHFFFAOYSA-N
XLogP2.06
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol with MolForge

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Related Compounds

2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]ethanol
CID 80766741
2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol
CID 107228423
3-[1-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 80801771
1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)azepane
CID 62869524
2-chloro-4-(2,4-dimethylpiperidin-1-yl)-6-propoxy-1,3,5-triazine
CID 62864691
2-[1-(6-chloro-2-pyridinyl)piperidin-2-yl]ethanol
CID 63586332
1-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627067
2-chloro-4-(3-methoxypiperidin-1-yl)-6-propoxy-1,3,5-triazine
CID 102963297
2-[2-(2-chloroethyl)piperidin-1-yl]-4-methyl-6-propoxypyrimidine
CID 115973842
[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol
CID 62865295
4-ethoxy-N-ethyl-6-(2-propylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 83045624
[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol
CID 116640670

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol (CID 62870210) is 2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol is CCCOc1nc(Cl)nc(N2CCCCC2CCO)n1.
What is the InChIKey of 2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol?
The InChIKey is QOJFLLOURGVPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-2-9-20-13-16-11(14)15-12(17-13)18-7-4-3-5-10(18)6-8-19/h10,19H,2-9H2,1H3.
What are the key properties of 2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol?
2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol has a molecular weight of 300.79 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 62870210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).