1-[5-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-4-ol

C17H17N3O2 — CID 150504455

IUPAC1-[5-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-4-ol
SMILESOC1CCN(c2ncc(-c3cc4ccccc4o3)cn2)CC1
InChIInChI=1S/C17H17N3O2/c21-14-5-7-20(8-6-14)17-18-10-13(11-19-17)16-9-12-3-1-2-4-15(12)22-16/h1-4,9-11,14,21H,5-8H2
InChIKeyHYMVCWUISCHWFY-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.85
Rot. Bonds2

About 1-[5-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-4-ol

1-[5-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-4-ol (PubChem CID 150504455) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[5-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-4-ol
PubChem CID150504455
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-[5-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-4-ol
SMILESOC1CCN(c2ncc(-c3cc4ccccc4o3)cn2)CC1
InChIInChI=1S/C17H17N3O2/c21-14-5-7-20(8-6-14)17-18-10-13(11-19-17)16-9-12-3-1-2-4-15(12)22-16/h1-4,9-11,14,21H,5-8H2
InChIKeyHYMVCWUISCHWFY-UHFFFAOYSA-N
XLogP2.85
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5,6-Diphenyl-furo(2,3-D)pyrimidin-4-ylamino)-acetic
CID 4369432
(5-Ethyl-pyrimidin-2-yl)-{2-[2-((R)-2-methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-amine
CID 11603022
5-Benzofuran-2-yl-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 44423534
1-(5,6-Diphenylfuro[2,3-d]pyrimidin-4-yl)piperidin-4-ol
CID 46854894
2-[2-(1-benzofuran-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
CID 162661275
2-(4-Dibenzofuran-4-ylmethyl-piperazin-1-yl)-pyrimidine
CID 44304600
1-(4-Fluorophenyl)-4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butan-1-ol;hydrochloride
CID 45259315
1-(4-Fluorophenyl)-4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butan-1-ol;hydrochloride
CID 45263983
(1S,4S)-2-(5-(benzofuran-5-yl)pyrimidin-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 46890827
1-(2-Methoxyethyl)-4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzofuro[3,2-d]pyrimidin-2-one
CID 71602782
5-(1-Benzofuran-2-yl)pyrimidine-2,4-diamine
CID 44530976
2-(Cyclohexoxy)-6-decyl-furo[2,3-d]pyrimidine
CID 508055

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[5-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-4-ol (CID 150504455) is 1-[5-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[5-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[5-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-4-ol is OC1CCN(c2ncc(-c3cc4ccccc4o3)cn2)CC1.
What is the InChIKey of 1-[5-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-4-ol?
The InChIKey is HYMVCWUISCHWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-14-5-7-20(8-6-14)17-18-10-13(11-19-17)16-9-12-3-1-2-4-15(12)22-16/h1-4,9-11,14,21H,5-8H2.
What are the key properties of 1-[5-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-4-ol?
1-[5-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 295.34 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 150504455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).