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

C13H21ClN4O2 — CID 107228423

IUPAC2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol
SMILESCCCOc1nc(Cl)nc(N2CCCC(CCO)C2)n1
InChIInChI=1S/C13H21ClN4O2/c1-2-8-20-13-16-11(14)15-12(17-13)18-6-3-4-10(9-18)5-7-19/h10,19H,2-9H2,1H3
InChIKeyFMEYHPQNAGFAMU-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.91
Rot. Bonds6

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

2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol (PubChem CID 107228423) 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-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol
PubChem CID107228423
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol
SMILESCCCOc1nc(Cl)nc(N2CCCC(CCO)C2)n1
InChIInChI=1S/C13H21ClN4O2/c1-2-8-20-13-16-11(14)15-12(17-13)18-6-3-4-10(9-18)5-7-19/h10,19H,2-9H2,1H3
InChIKeyFMEYHPQNAGFAMU-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-(3-methoxypiperidin-1-yl)-6-propoxy-1,3,5-triazine
CID 102963297
2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-6-propoxy-1,3,5-triazine
CID 64597022
2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine
CID 62857566
1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)azepane
CID 62869524
2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol
CID 62870210
1-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627067
2-[1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol
CID 107229222
4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80793428
1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62859553
2-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-6-propoxy-1,3,5-triazine
CID 107394111
4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one
CID 65363708
N-[[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]propan-2-amine
CID 63241854

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol (CID 107228423) is 2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol is CCCOc1nc(Cl)nc(N2CCCC(CCO)C2)n1.
What is the InChIKey of 2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol?
The InChIKey is FMEYHPQNAGFAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-2-8-20-13-16-11(14)15-12(17-13)18-6-3-4-10(9-18)5-7-19/h10,19H,2-9H2,1H3.
What are the key properties of 2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol?
2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol has a molecular weight of 300.79 g/mol, XLogP of 1.91, 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-3-yl]ethanol is sourced from PubChem (CID 107228423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).