2-(3-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)acetic acid

C16H23NO3 — CID 84748280

IUPAC2-(3-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)acetic acid
SMILESCCOc1cccc(C(C(=O)O)N2CCCCC2C)c1
InChIInChI=1S/C16H23NO3/c1-3-20-14-9-6-8-13(11-14)15(16(18)19)17-10-5-4-7-12(17)2/h6,8-9,11-12,15H,3-5,7,10H2,1-2H3,(H,18,19)
InChIKeyXKXSSVGKSXIEAU-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.09
Rot. Bonds5

About 2-(3-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)acetic acid

2-(3-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)acetic acid (PubChem CID 84748280) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)acetic acid
PubChem CID84748280
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(3-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)acetic acid
SMILESCCOc1cccc(C(C(=O)O)N2CCCCC2C)c1
InChIInChI=1S/C16H23NO3/c1-3-20-14-9-6-8-13(11-14)15(16(18)19)17-10-5-4-7-12(17)2/h6,8-9,11-12,15H,3-5,7,10H2,1-2H3,(H,18,19)
InChIKeyXKXSSVGKSXIEAU-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpiperidin-1-yl)-2-(3-propan-2-yloxyphenyl)acetic acid
CID 84751470
(2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid
CID 1091381
1-[(4-chlorophenyl)-(3-ethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5186869
1-[(3-ethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4291092
2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid
CID 82345110
1-[(2,5-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4291328
1-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4297331
1-[1-(3-ethoxyphenyl)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 60600235
1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4009536
(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
CID 7046833
2-(3-ethoxyphenyl)-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 72916964
1-[(3-ethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid
CID 3895314

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)acetic acid?
The IUPAC name of 2-(3-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)acetic acid (CID 84748280) is 2-(3-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)acetic acid is CCOc1cccc(C(C(=O)O)N2CCCCC2C)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)acetic acid?
The InChIKey is XKXSSVGKSXIEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-20-14-9-6-8-13(11-14)15(16(18)19)17-10-5-4-7-12(17)2/h6,8-9,11-12,15H,3-5,7,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)acetic acid?
2-(3-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)acetic acid has a molecular weight of 277.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)acetic acid is sourced from PubChem (CID 84748280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).