2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetic acid

C16H23NO3 — CID 117094856

IUPAC2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetic acid
SMILESCC(Oc1ccccc1CC(=O)O)C1CCN(C)CC1
InChIInChI=1S/C16H23NO3/c1-12(13-7-9-17(2)10-8-13)20-15-6-4-3-5-14(15)11-16(18)19/h3-6,12-13H,7-11H2,1-2H3,(H,18,19)
InChIKeyIEMYICVPOWCLFM-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.42
Rot. Bonds5

About 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetic acid

2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetic acid (PubChem CID 117094856) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetic acid
PubChem CID117094856
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetic acid
SMILESCC(Oc1ccccc1CC(=O)O)C1CCN(C)CC1
InChIInChI=1S/C16H23NO3/c1-12(13-7-9-17(2)10-8-13)20-15-6-4-3-5-14(15)11-16(18)19/h3-6,12-13H,7-11H2,1-2H3,(H,18,19)
InChIKeyIEMYICVPOWCLFM-UHFFFAOYSA-N
XLogP2.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetate
CID 117054282
3-[2-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 115005802
5-amino-2-[1-(1-methylpiperidin-4-yl)ethoxy]benzoic acid
CID 117096068
1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 119904478
2-[2-(3,3-dimethylbutan-2-yloxy)phenyl]acetic acid
CID 117054311
2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid
CID 80741605
(2R)-1-[2-(2-propan-2-yloxyphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371810
(2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99972529
1-[(2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848340
methyl 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate
CID 117054228
2-(2-ethylphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]propanamide
CID 132660321
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 119934244

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetic acid (CID 117094856) is 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetic acid is CC(Oc1ccccc1CC(=O)O)C1CCN(C)CC1.
What is the InChIKey of 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetic acid?
The InChIKey is IEMYICVPOWCLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(13-7-9-17(2)10-8-13)20-15-6-4-3-5-14(15)11-16(18)19/h3-6,12-13H,7-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetic acid?
2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetic acid has a molecular weight of 277.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetic acid is sourced from PubChem (CID 117094856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).