3-(2-ethylphenyl)-3-piperidin-1-ylpropanoic acid

C16H23NO2 — CID 64526440

IUPAC3-(2-ethylphenyl)-3-piperidin-1-ylpropanoic acid
SMILESCCc1ccccc1C(CC(=O)O)N1CCCCC1
InChIInChI=1S/C16H23NO2/c1-2-13-8-4-5-9-14(13)15(12-16(18)19)17-10-6-3-7-11-17/h4-5,8-9,15H,2-3,6-7,10-12H2,1H3,(H,18,19)
InChIKeyJMYOLATVJWKOOT-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.25
Rot. Bonds5

About 3-(2-ethylphenyl)-3-piperidin-1-ylpropanoic acid

3-(2-ethylphenyl)-3-piperidin-1-ylpropanoic acid (PubChem CID 64526440) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-3-piperidin-1-ylpropanoic acid.

Molecular Properties

Compound Name3-(2-ethylphenyl)-3-piperidin-1-ylpropanoic acid
PubChem CID64526440
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-(2-ethylphenyl)-3-piperidin-1-ylpropanoic acid
SMILESCCc1ccccc1C(CC(=O)O)N1CCCCC1
InChIInChI=1S/C16H23NO2/c1-2-13-8-4-5-9-14(13)15(12-16(18)19)17-10-6-3-7-11-17/h4-5,8-9,15H,2-3,6-7,10-12H2,1H3,(H,18,19)
InChIKeyJMYOLATVJWKOOT-UHFFFAOYSA-N
XLogP3.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid
CID 64527224
2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine
CID 62392801
3-(2-ethoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid
CID 64527940
3-(1-benzothiophen-3-yl)-3-pyrrolidin-1-ylpropanoic acid
CID 64528537
3-(azepan-1-yl)-3-(2,6-difluorophenyl)propanoic acid
CID 64528307
3-(5-chloro-2-fluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 114866811
2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 62392810
3-(2,5-difluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 64527801
3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64526362
ethyl 3-(2-bromophenyl)-3-piperidin-1-ylpropanoate
CID 64539908
ethyl 3-(2-methoxyphenyl)-3-piperidin-1-ylpropanoate
CID 64542045
3-(azepan-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 64528301

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-3-piperidin-1-ylpropanoic acid?
The IUPAC name of 3-(2-ethylphenyl)-3-piperidin-1-ylpropanoic acid (CID 64526440) is 3-(2-ethylphenyl)-3-piperidin-1-ylpropanoic acid.
What is the SMILES notation for 3-(2-ethylphenyl)-3-piperidin-1-ylpropanoic acid?
The canonical SMILES for 3-(2-ethylphenyl)-3-piperidin-1-ylpropanoic acid is CCc1ccccc1C(CC(=O)O)N1CCCCC1.
What is the InChIKey of 3-(2-ethylphenyl)-3-piperidin-1-ylpropanoic acid?
The InChIKey is JMYOLATVJWKOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-13-8-4-5-9-14(13)15(12-16(18)19)17-10-6-3-7-11-17/h4-5,8-9,15H,2-3,6-7,10-12H2,1H3,(H,18,19).
What are the key properties of 3-(2-ethylphenyl)-3-piperidin-1-ylpropanoic acid?
3-(2-ethylphenyl)-3-piperidin-1-ylpropanoic acid has a molecular weight of 261.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-3-piperidin-1-ylpropanoic acid is sourced from PubChem (CID 64526440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).