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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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).