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

C12H20N4O3 — CID 103703058

IUPAC1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanol
SMILESCOc1nc(OC)nc(N2CCC(C(C)O)CC2)n1
InChIInChI=1S/C12H20N4O3/c1-8(17)9-4-6-16(7-5-9)10-13-11(18-2)15-12(14-10)19-3/h8-9,17H,4-7H2,1-3H3
InChIKeyZSLZYQRKQDZJEU-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.49
Rot. Bonds4

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

1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanol (PubChem CID 103703058) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanol
PubChem CID103703058
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanol
SMILESCOc1nc(OC)nc(N2CCC(C(C)O)CC2)n1
InChIInChI=1S/C12H20N4O3/c1-8(17)9-4-6-16(7-5-9)10-13-11(18-2)15-12(14-10)19-3/h8-9,17H,4-7H2,1-3H3
InChIKeyZSLZYQRKQDZJEU-UHFFFAOYSA-N
XLogP0.49
TPSA80.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1R)-1-[(3R)-1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 124733029
2-[4-(1-chloroethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
CID 106838427
1-[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol
CID 133397690
2,4-dimethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine
CID 141014855
1-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine
CID 63595725
1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanone
CID 63844978
(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol
CID 103696650
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-ethylpiperidin-4-amine
CID 62861936
N-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methyl]propan-1-amine
CID 62860368
1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627918
1-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]ethanol
CID 106837299
[1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 80757527

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanol (CID 103703058) is 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanol is COc1nc(OC)nc(N2CCC(C(C)O)CC2)n1.
What is the InChIKey of 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanol?
The InChIKey is ZSLZYQRKQDZJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8(17)9-4-6-16(7-5-9)10-13-11(18-2)15-12(14-10)19-3/h8-9,17H,4-7H2,1-3H3.
What are the key properties of 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanol?
1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanol has a molecular weight of 268.32 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanol is sourced from PubChem (CID 103703058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).