2-[1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidin-2-yl]acetic acid

C15H19NO4 — CID 65063196

IUPAC2-[1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C1COc2cc(O)ccc21
InChIInChI=1S/C15H19NO4/c17-11-4-5-12-13(9-20-14(12)8-11)16-6-2-1-3-10(16)7-15(18)19/h4-5,8,10,13,17H,1-3,6-7,9H2,(H,18,19)
InChIKeyTXKLCBZEUFANPQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.15
Rot. Bonds3

About 2-[1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidin-2-yl]acetic acid

2-[1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidin-2-yl]acetic acid (PubChem CID 65063196) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidin-2-yl]acetic acid
PubChem CID65063196
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C1COc2cc(O)ccc21
InChIInChI=1S/C15H19NO4/c17-11-4-5-12-13(9-20-14(12)8-11)16-6-2-1-3-10(16)7-15(18)19/h4-5,8,10,13,17H,1-3,6-7,9H2,(H,18,19)
InChIKeyTXKLCBZEUFANPQ-UHFFFAOYSA-N
XLogP2.15
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82981229
1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidine-4-carboxylic acid
CID 65056044
3-(4-ethylpiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82986131
3-ethyl-1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)pyrrolidine-3-carboxylic acid
CID 65064378
1-(2-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-ol
CID 107685129
3-(4-ethoxypiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82981566
2-[1-(2,5-dioxopyrrolidin-3-yl)piperidin-2-yl]acetic acid
CID 54899446
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2,3-dihydro-1-benzofuran-6-ol
CID 63240862
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82958957
2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid
CID 67085852
diphenyl-[(2R)-pyrrolidin-2-yl]methanol;2-[(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 86706793
3-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 43195906

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidin-2-yl]acetic acid (CID 65063196) is 2-[1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C1COc2cc(O)ccc21.
What is the InChIKey of 2-[1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidin-2-yl]acetic acid?
The InChIKey is TXKLCBZEUFANPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-11-4-5-12-13(9-20-14(12)8-11)16-6-2-1-3-10(16)7-15(18)19/h4-5,8,10,13,17H,1-3,6-7,9H2,(H,18,19).
What are the key properties of 2-[1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidin-2-yl]acetic acid?
2-[1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidin-2-yl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 65063196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).