1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol

C14H20N6O2 — CID 45172289

IUPAC1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol
SMILESCOc1cc(N2CCC(n3cc(C(C)O)nn3)CC2)ncn1
InChIInChI=1S/C14H20N6O2/c1-10(21)12-8-20(18-17-12)11-3-5-19(6-4-11)13-7-14(22-2)16-9-15-13/h7-11,21H,3-6H2,1-2H3
InChIKeyVDUJNCNTRKHLHP-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.97
Rot. Bonds4

About 1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol

1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol (PubChem CID 45172289) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol
PubChem CID45172289
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol
SMILESCOc1cc(N2CCC(n3cc(C(C)O)nn3)CC2)ncn1
InChIInChI=1S/C14H20N6O2/c1-10(21)12-8-20(18-17-12)11-3-5-19(6-4-11)13-7-14(22-2)16-9-15-13/h7-11,21H,3-6H2,1-2H3
InChIKeyVDUJNCNTRKHLHP-UHFFFAOYSA-N
XLogP0.97
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol (CID 45172289) is 1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol is COc1cc(N2CCC(n3cc(C(C)O)nn3)CC2)ncn1.
What is the InChIKey of 1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol?
The InChIKey is VDUJNCNTRKHLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-10(21)12-8-20(18-17-12)11-3-5-19(6-4-11)13-7-14(22-2)16-9-15-13/h7-11,21H,3-6H2,1-2H3.
What are the key properties of 1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol?
1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol has a molecular weight of 304.35 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol is sourced from PubChem (CID 45172289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).