2-piperidin-1-ylethyl 1-benzofuran-2-carboxylate;hydrochloride

C16H20ClNO3 — CID 6603492

IUPAC2-piperidin-1-ylethyl 1-benzofuran-2-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCCCC1)c1cc2ccccc2o1
InChIInChI=1S/C16H19NO3.ClH/c18-16(19-11-10-17-8-4-1-5-9-17)15-12-13-6-2-3-7-14(13)20-15;/h2-3,6-7,12H,1,4-5,8-11H2;1H
InChIKeyUMAKDFOLKOUIGU-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.50
Rot. Bonds4

About 2-piperidin-1-ylethyl 1-benzofuran-2-carboxylate;hydrochloride

2-piperidin-1-ylethyl 1-benzofuran-2-carboxylate;hydrochloride (PubChem CID 6603492) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 1-benzofuran-2-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 1-benzofuran-2-carboxylate;hydrochloride
PubChem CID6603492
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name2-piperidin-1-ylethyl 1-benzofuran-2-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCCCC1)c1cc2ccccc2o1
InChIInChI=1S/C16H19NO3.ClH/c18-16(19-11-10-17-8-4-1-5-9-17)15-12-13-6-2-3-7-14(13)20-15;/h2-3,6-7,12H,1,4-5,8-11H2;1H
InChIKeyUMAKDFOLKOUIGU-UHFFFAOYSA-N
XLogP3.50
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-piperidin-1-ylethyl 1-benzofuran-2-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 1-benzofuran-2-carboxylate;hydrochloride?
The IUPAC name of 2-piperidin-1-ylethyl 1-benzofuran-2-carboxylate;hydrochloride (CID 6603492) is 2-piperidin-1-ylethyl 1-benzofuran-2-carboxylate;hydrochloride.
What is the SMILES notation for 2-piperidin-1-ylethyl 1-benzofuran-2-carboxylate;hydrochloride?
The canonical SMILES for 2-piperidin-1-ylethyl 1-benzofuran-2-carboxylate;hydrochloride is Cl.O=C(OCCN1CCCCC1)c1cc2ccccc2o1.
What is the InChIKey of 2-piperidin-1-ylethyl 1-benzofuran-2-carboxylate;hydrochloride?
The InChIKey is UMAKDFOLKOUIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3.ClH/c18-16(19-11-10-17-8-4-1-5-9-17)15-12-13-6-2-3-7-14(13)20-15;/h2-3,6-7,12H,1,4-5,8-11H2;1H.
What are the key properties of 2-piperidin-1-ylethyl 1-benzofuran-2-carboxylate;hydrochloride?
2-piperidin-1-ylethyl 1-benzofuran-2-carboxylate;hydrochloride has a molecular weight of 309.79 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 1-benzofuran-2-carboxylate;hydrochloride is sourced from PubChem (CID 6603492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).