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

C18H22N4O2 — CID 118779088

IUPAC1-[6-(oxolan-3-yl)pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol
SMILESOC1(c2cccnc2)CCN(c2cc(C3CCOC3)ncn2)CC1
InChIInChI=1S/C18H22N4O2/c23-18(15-2-1-6-19-11-15)4-7-22(8-5-18)17-10-16(20-13-21-17)14-3-9-24-12-14/h1-2,6,10-11,13-14,23H,3-5,7-9,12H2
InChIKeyJMVLLXNDGQQEAP-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.86
Rot. Bonds3

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

1-[6-(oxolan-3-yl)pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol (PubChem CID 118779088) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[6-(oxolan-3-yl)pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-[6-(oxolan-3-yl)pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol
PubChem CID118779088
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-[6-(oxolan-3-yl)pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol
SMILESOC1(c2cccnc2)CCN(c2cc(C3CCOC3)ncn2)CC1
InChIInChI=1S/C18H22N4O2/c23-18(15-2-1-6-19-11-15)4-7-22(8-5-18)17-10-16(20-13-21-17)14-3-9-24-12-14/h1-2,6,10-11,13-14,23H,3-5,7-9,12H2
InChIKeyJMVLLXNDGQQEAP-UHFFFAOYSA-N
XLogP1.86
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol
CID 125165448
1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-ol
CID 126848783
1'-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]spiro[indene-1,4'-piperidine]
CID 126430249
[1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 119064003
1-[4-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2-phenoxyethanone
CID 126451064
1-[4-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2-phenoxyethanone
CID 126451063
1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone
CID 126441295
4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-6-(oxolan-3-yl)pyrimidine
CID 119070926
1-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 126440281
1-[2-[1-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 126436676
1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidin-4-amine
CID 126849299

Frequently Asked Questions

What is the IUPAC name of 1-[6-(oxolan-3-yl)pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol?
The IUPAC name of 1-[6-(oxolan-3-yl)pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol (CID 118779088) is 1-[6-(oxolan-3-yl)pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol.
What is the SMILES notation for 1-[6-(oxolan-3-yl)pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol?
The canonical SMILES for 1-[6-(oxolan-3-yl)pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol is OC1(c2cccnc2)CCN(c2cc(C3CCOC3)ncn2)CC1.
What is the InChIKey of 1-[6-(oxolan-3-yl)pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol?
The InChIKey is JMVLLXNDGQQEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(15-2-1-6-19-11-15)4-7-22(8-5-18)17-10-16(20-13-21-17)14-3-9-24-12-14/h1-2,6,10-11,13-14,23H,3-5,7-9,12H2.
What are the key properties of 1-[6-(oxolan-3-yl)pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol?
1-[6-(oxolan-3-yl)pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol has a molecular weight of 326.40 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(oxolan-3-yl)pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol is sourced from PubChem (CID 118779088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).