2-(4-ethylphenyl)-3-piperidin-1-ylpropanoic acid

C16H23NO2 — CID 82090555

IUPAC2-(4-ethylphenyl)-3-piperidin-1-ylpropanoic acid
SMILESCCc1ccc(C(CN2CCCCC2)C(=O)O)cc1
InChIInChI=1S/C16H23NO2/c1-2-13-6-8-14(9-7-13)15(16(18)19)12-17-10-4-3-5-11-17/h6-9,15H,2-5,10-12H2,1H3,(H,18,19)
InChIKeyVDMMLPUPFVKYCL-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.90
Rot. Bonds5

About 2-(4-ethylphenyl)-3-piperidin-1-ylpropanoic acid

2-(4-ethylphenyl)-3-piperidin-1-ylpropanoic acid (PubChem CID 82090555) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-3-piperidin-1-ylpropanoic acid.

Molecular Properties

Compound Name2-(4-ethylphenyl)-3-piperidin-1-ylpropanoic acid
PubChem CID82090555
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(4-ethylphenyl)-3-piperidin-1-ylpropanoic acid
SMILESCCc1ccc(C(CN2CCCCC2)C(=O)O)cc1
InChIInChI=1S/C16H23NO2/c1-2-13-6-8-14(9-7-13)15(16(18)19)12-17-10-4-3-5-11-17/h6-9,15H,2-5,10-12H2,1H3,(H,18,19)
InChIKeyVDMMLPUPFVKYCL-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride
CID 67449753
3-(azepan-1-yl)-2-(4-methoxyphenyl)propanoic acid
CID 117245121
2-phenyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 119031136
3-(4-ethylphenyl)-4-pyrrolidin-1-ylbutanoic acid
CID 112516879
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanol
CID 56686959
1-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 16643517
(2R)-1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 76963739
N-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 63466733
3-(azepan-1-yl)-2-(2-methylphenyl)propanoic acid
CID 117244237
(E)-but-2-enedioic acid;1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 67426641
2-(3-fluoro-4-methoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid
CID 82092193
1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine
CID 139561533

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-3-piperidin-1-ylpropanoic acid?
The IUPAC name of 2-(4-ethylphenyl)-3-piperidin-1-ylpropanoic acid (CID 82090555) is 2-(4-ethylphenyl)-3-piperidin-1-ylpropanoic acid.
What is the SMILES notation for 2-(4-ethylphenyl)-3-piperidin-1-ylpropanoic acid?
The canonical SMILES for 2-(4-ethylphenyl)-3-piperidin-1-ylpropanoic acid is CCc1ccc(C(CN2CCCCC2)C(=O)O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-3-piperidin-1-ylpropanoic acid?
The InChIKey is VDMMLPUPFVKYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-13-6-8-14(9-7-13)15(16(18)19)12-17-10-4-3-5-11-17/h6-9,15H,2-5,10-12H2,1H3,(H,18,19).
What are the key properties of 2-(4-ethylphenyl)-3-piperidin-1-ylpropanoic acid?
2-(4-ethylphenyl)-3-piperidin-1-ylpropanoic acid has a molecular weight of 261.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-3-piperidin-1-ylpropanoic acid is sourced from PubChem (CID 82090555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).