2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid

C16H23NO4 — CID 81134822

IUPAC2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
SMILESCOc1cccc(C(O)CN2CCC(CC(=O)O)CC2)c1
InChIInChI=1S/C16H23NO4/c1-21-14-4-2-3-13(10-14)15(18)11-17-7-5-12(6-8-17)9-16(19)20/h2-4,10,12,15,18H,5-9,11H2,1H3,(H,19,20)
InChIKeyREDGHCBTCSDBQV-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.92
Rot. Bonds6

About 2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid

2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid (PubChem CID 81134822) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
PubChem CID81134822
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
SMILESCOc1cccc(C(O)CN2CCC(CC(=O)O)CC2)c1
InChIInChI=1S/C16H23NO4/c1-21-14-4-2-3-13(10-14)15(18)11-17-7-5-12(6-8-17)9-16(19)20/h2-4,10,12,15,18H,5-9,11H2,1H3,(H,19,20)
InChIKeyREDGHCBTCSDBQV-UHFFFAOYSA-N
XLogP1.92
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 115688624
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 81133466
methyl 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylate
CID 78966764
1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol
CID 103536862
2-(1-ethylpiperidin-4-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide
CID 72893155
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]azetidin-3-yl]propanoic acid
CID 116684103
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103670655
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 112706792
2-[4-(4-fluorophenoxy)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 111381841
1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63165585
2-[4-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
CID 15592159
2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol
CID 62231335

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid (CID 81134822) is 2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid is COc1cccc(C(O)CN2CCC(CC(=O)O)CC2)c1.
What is the InChIKey of 2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid?
The InChIKey is REDGHCBTCSDBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-21-14-4-2-3-13(10-14)15(18)11-17-7-5-12(6-8-17)9-16(19)20/h2-4,10,12,15,18H,5-9,11H2,1H3,(H,19,20).
What are the key properties of 2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid?
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid has a molecular weight of 293.36 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 81134822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).