4-(1-benzofuran-2-yl)-1,3-dimethylpiperidin-4-ol

C15H19NO2 — CID 23312254

IUPAC4-(1-benzofuran-2-yl)-1,3-dimethylpiperidin-4-ol
SMILESCC1CN(C)CCC1(O)c1cc2ccccc2o1
InChIInChI=1S/C15H19NO2/c1-11-10-16(2)8-7-15(11,17)14-9-12-5-3-4-6-13(12)18-14/h3-6,9,11,17H,7-8,10H2,1-2H3
InChIKeyXEKKVQGOXZMARC-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.59
Rot. Bonds1

About 4-(1-benzofuran-2-yl)-1,3-dimethylpiperidin-4-ol

4-(1-benzofuran-2-yl)-1,3-dimethylpiperidin-4-ol (PubChem CID 23312254) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-1,3-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-1,3-dimethylpiperidin-4-ol
PubChem CID23312254
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-(1-benzofuran-2-yl)-1,3-dimethylpiperidin-4-ol
SMILESCC1CN(C)CCC1(O)c1cc2ccccc2o1
InChIInChI=1S/C15H19NO2/c1-11-10-16(2)8-7-15(11,17)14-9-12-5-3-4-6-13(12)18-14/h3-6,9,11,17H,7-8,10H2,1-2H3
InChIKeyXEKKVQGOXZMARC-UHFFFAOYSA-N
XLogP2.59
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-1,3-dimethylpiperidin-4-ol?
The IUPAC name of 4-(1-benzofuran-2-yl)-1,3-dimethylpiperidin-4-ol (CID 23312254) is 4-(1-benzofuran-2-yl)-1,3-dimethylpiperidin-4-ol.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-1,3-dimethylpiperidin-4-ol?
The canonical SMILES for 4-(1-benzofuran-2-yl)-1,3-dimethylpiperidin-4-ol is CC1CN(C)CCC1(O)c1cc2ccccc2o1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-1,3-dimethylpiperidin-4-ol?
The InChIKey is XEKKVQGOXZMARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11-10-16(2)8-7-15(11,17)14-9-12-5-3-4-6-13(12)18-14/h3-6,9,11,17H,7-8,10H2,1-2H3.
What are the key properties of 4-(1-benzofuran-2-yl)-1,3-dimethylpiperidin-4-ol?
4-(1-benzofuran-2-yl)-1,3-dimethylpiperidin-4-ol has a molecular weight of 245.32 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-1,3-dimethylpiperidin-4-ol is sourced from PubChem (CID 23312254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).