2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol

C11H15Cl2N3O2 — CID 82691197

IUPAC2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(c2nc(Cl)ncc2Cl)CC1
InChIInChI=1S/C11H15Cl2N3O2/c12-9-7-14-11(13)15-10(9)16-3-1-8(2-4-16)18-6-5-17/h7-8,17H,1-6H2
InChIKeyDJPZUHOWWOSXPJ-UHFFFAOYSA-N
MW292.17 g/mol
LogP1.76
Rot. Bonds4

About 2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol

2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol (PubChem CID 82691197) has the molecular formula C11H15Cl2N3O2 and a molecular weight of 292.17 g/mol. Its IUPAC name is 2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol
PubChem CID82691197
Molecular FormulaC11H15Cl2N3O2
Molecular Weight292.17 g/mol
Exact Mass291.05
IUPAC Name2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(c2nc(Cl)ncc2Cl)CC1
InChIInChI=1S/C11H15Cl2N3O2/c12-9-7-14-11(13)15-10(9)16-3-1-8(2-4-16)18-6-5-17/h7-8,17H,1-6H2
InChIKeyDJPZUHOWWOSXPJ-UHFFFAOYSA-N
XLogP1.76
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol (CID 82691197) is 2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol is OCCOC1CCN(c2nc(Cl)ncc2Cl)CC1.
What is the InChIKey of 2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol?
The InChIKey is DJPZUHOWWOSXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O2/c12-9-7-14-11(13)15-10(9)16-3-1-8(2-4-16)18-6-5-17/h7-8,17H,1-6H2.
What are the key properties of 2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol?
2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol has a molecular weight of 292.17 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82691197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).