1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid

C14H17NO4 — CID 65056044

IUPAC1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C2COc3cc(O)ccc32)CC1
InChIInChI=1S/C14H17NO4/c16-10-1-2-11-12(8-19-13(11)7-10)15-5-3-9(4-6-15)14(17)18/h1-2,7,9,12,16H,3-6,8H2,(H,17,18)
InChIKeyBNRALBVIHXGATR-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.62
Rot. Bonds2

About 1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid

1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid (PubChem CID 65056044) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid
PubChem CID65056044
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C2COc3cc(O)ccc32)CC1
InChIInChI=1S/C14H17NO4/c16-10-1-2-11-12(8-19-13(11)7-10)15-5-3-9(4-6-15)14(17)18/h1-2,7,9,12,16H,3-6,8H2,(H,17,18)
InChIKeyBNRALBVIHXGATR-UHFFFAOYSA-N
XLogP1.62
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82977876
3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82986131
4-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid
CID 65066158
2-[1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidin-2-yl]acetic acid
CID 65063196
3-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine-3-carboxylic acid
CID 65064378
3-(2-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82981229
3-(2,4-dimethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82985765
2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)-methylamino]-2-methylpropanoic acid
CID 65061336
2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 60931257
4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]cyclohexane-1-carboxamide
CID 43748903
(3S,4R)-3-phenyl-4-(4-piperidin-1-ylphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 157198591
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82958957

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid (CID 65056044) is 1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C2COc3cc(O)ccc32)CC1.
What is the InChIKey of 1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid?
The InChIKey is BNRALBVIHXGATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-10-1-2-11-12(8-19-13(11)7-10)15-5-3-9(4-6-15)14(17)18/h1-2,7,9,12,16H,3-6,8H2,(H,17,18).
What are the key properties of 1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid?
1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 65056044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).