4-(4,7-dimethyl-1-benzofuran-2-yl)piperidine-1-carboxylic acid

C16H19NO3 — CID 23312229

IUPAC4-(4,7-dimethyl-1-benzofuran-2-yl)piperidine-1-carboxylic acid
SMILESCc1ccc(C)c2oc(C3CCN(C(=O)O)CC3)cc12
InChIInChI=1S/C16H19NO3/c1-10-3-4-11(2)15-13(10)9-14(20-15)12-5-7-17(8-6-12)16(18)19/h3-4,9,12H,5-8H2,1-2H3,(H,18,19)
InChIKeyFEINEXXTMJEGCT-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.91
Rot. Bonds1

About 4-(4,7-dimethyl-1-benzofuran-2-yl)piperidine-1-carboxylic acid

4-(4,7-dimethyl-1-benzofuran-2-yl)piperidine-1-carboxylic acid (PubChem CID 23312229) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-(4,7-dimethyl-1-benzofuran-2-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4,7-dimethyl-1-benzofuran-2-yl)piperidine-1-carboxylic acid
PubChem CID23312229
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name4-(4,7-dimethyl-1-benzofuran-2-yl)piperidine-1-carboxylic acid
SMILESCc1ccc(C)c2oc(C3CCN(C(=O)O)CC3)cc12
InChIInChI=1S/C16H19NO3/c1-10-3-4-11(2)15-13(10)9-14(20-15)12-5-7-17(8-6-12)16(18)19/h3-4,9,12H,5-8H2,1-2H3,(H,18,19)
InChIKeyFEINEXXTMJEGCT-UHFFFAOYSA-N
XLogP3.91
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4,7-dimethyl-1-benzofuran-2-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4,7-dimethyl-1-benzofuran-2-yl)piperidine-1-carboxylic acid (CID 23312229) is 4-(4,7-dimethyl-1-benzofuran-2-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4,7-dimethyl-1-benzofuran-2-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4,7-dimethyl-1-benzofuran-2-yl)piperidine-1-carboxylic acid is Cc1ccc(C)c2oc(C3CCN(C(=O)O)CC3)cc12.
What is the InChIKey of 4-(4,7-dimethyl-1-benzofuran-2-yl)piperidine-1-carboxylic acid?
The InChIKey is FEINEXXTMJEGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10-3-4-11(2)15-13(10)9-14(20-15)12-5-7-17(8-6-12)16(18)19/h3-4,9,12H,5-8H2,1-2H3,(H,18,19).
What are the key properties of 4-(4,7-dimethyl-1-benzofuran-2-yl)piperidine-1-carboxylic acid?
4-(4,7-dimethyl-1-benzofuran-2-yl)piperidine-1-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,7-dimethyl-1-benzofuran-2-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 23312229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).