3-(4-piperidin-3-ylphenyl)propanoic acid

C14H19NO2 — CID 116988287

IUPAC3-(4-piperidin-3-ylphenyl)propanoic acid
SMILESO=C(O)CCc1ccc(C2CCCNC2)cc1
InChIInChI=1S/C14H19NO2/c16-14(17)8-5-11-3-6-12(7-4-11)13-2-1-9-15-10-13/h3-4,6-7,13,15H,1-2,5,8-10H2,(H,16,17)
InChIKeyRXRVIMQKPNVLMU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.17
Rot. Bonds4

About 3-(4-piperidin-3-ylphenyl)propanoic acid

3-(4-piperidin-3-ylphenyl)propanoic acid (PubChem CID 116988287) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(4-piperidin-3-ylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-piperidin-3-ylphenyl)propanoic acid
PubChem CID116988287
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(4-piperidin-3-ylphenyl)propanoic acid
SMILESO=C(O)CCc1ccc(C2CCCNC2)cc1
InChIInChI=1S/C14H19NO2/c16-14(17)8-5-11-3-6-12(7-4-11)13-2-1-9-15-10-13/h3-4,6-7,13,15H,1-2,5,8-10H2,(H,16,17)
InChIKeyRXRVIMQKPNVLMU-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3S)-piperidin-3-yl]benzoic acid;hydrochloride
CID 154574772
3-[4-[(2-piperidin-3-ylacetyl)amino]phenyl]propanoic acid
CID 115340003
4-(4-cyclohexylphenyl)butanoic acid
CID 3041568
3-[4-(thian-4-yl)phenyl]propanoic acid
CID 117379775
3-[4-(thietan-3-yl)phenyl]propanoic acid
CID 83838903
N-[(4-piperidin-3-ylphenyl)methyl]ethanamine
CID 116988263
3-[4-(2-methoxypropyl)phenyl]piperidine
CID 117339182
N-(4-piperidin-3-ylphenyl)-4-propylbenzamide
CID 53251423
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
1-(4-piperidin-3-ylphenyl)ethanone
CID 83404173
3-[4-(2-fluoropropyl)phenyl]piperidine
CID 84687072
3-[4-(2,2-dimethylpropyl)phenyl]piperidine
CID 117335235

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-3-ylphenyl)propanoic acid?
The IUPAC name of 3-(4-piperidin-3-ylphenyl)propanoic acid (CID 116988287) is 3-(4-piperidin-3-ylphenyl)propanoic acid.
What is the SMILES notation for 3-(4-piperidin-3-ylphenyl)propanoic acid?
The canonical SMILES for 3-(4-piperidin-3-ylphenyl)propanoic acid is O=C(O)CCc1ccc(C2CCCNC2)cc1.
What is the InChIKey of 3-(4-piperidin-3-ylphenyl)propanoic acid?
The InChIKey is RXRVIMQKPNVLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-14(17)8-5-11-3-6-12(7-4-11)13-2-1-9-15-10-13/h3-4,6-7,13,15H,1-2,5,8-10H2,(H,16,17).
What are the key properties of 3-(4-piperidin-3-ylphenyl)propanoic acid?
3-(4-piperidin-3-ylphenyl)propanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-3-ylphenyl)propanoic acid is sourced from PubChem (CID 116988287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).