1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-ol

C13H19N3O2 — CID 126848783

IUPAC1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cc(C3CCOC3)ncn2)CC1
InChIInChI=1S/C13H19N3O2/c17-11-1-4-16(5-2-11)13-7-12(14-9-15-13)10-3-6-18-8-10/h7,9-11,17H,1-6,8H2
InChIKeyBYNYGULLLUEDCK-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.94
Rot. Bonds2

About 1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-ol

1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-ol (PubChem CID 126848783) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-ol
PubChem CID126848783
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cc(C3CCOC3)ncn2)CC1
InChIInChI=1S/C13H19N3O2/c17-11-1-4-16(5-2-11)13-7-12(14-9-15-13)10-3-6-18-8-10/h7,9-11,17H,1-6,8H2
InChIKeyBYNYGULLLUEDCK-UHFFFAOYSA-N
XLogP0.94
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 119064003
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidin-4-amine
CID 126849299
4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-6-(oxolan-3-yl)pyrimidine
CID 119070926
1-[2-[1-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 126436676
1-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol
CID 125165448
1-[4-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2-phenoxyethanone
CID 126451063
1-[6-(oxolan-3-yl)pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol
CID 118779088
1-[4-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2-phenoxyethanone
CID 126451064
tert-butyl 4-[6-(oxolan-3-yl)pyrimidin-4-yl]-1,4-diazepane-1-carboxylate
CID 126849871
1'-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]spiro[indene-1,4'-piperidine]
CID 126430249
1-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 126440281

Frequently Asked Questions

What is the IUPAC name of 1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-ol (CID 126848783) is 1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-ol is OC1CCN(c2cc(C3CCOC3)ncn2)CC1.
What is the InChIKey of 1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is BYNYGULLLUEDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-11-1-4-16(5-2-11)13-7-12(14-9-15-13)10-3-6-18-8-10/h7,9-11,17H,1-6,8H2.
What are the key properties of 1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-ol?
1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 249.31 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 126848783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).