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

C15H21NO3 — CID 82091210

IUPAC3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid
SMILESCOc1ccc(CC(C(=O)O)N2CCCCC2)cc1
InChIInChI=1S/C15H21NO3/c1-19-13-7-5-12(6-8-13)11-14(15(17)18)16-9-3-2-4-10-16/h5-8,14H,2-4,9-11H2,1H3,(H,17,18)
InChIKeyPWXWFXAJWPYLPF-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.18
Rot. Bonds5

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

3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid (PubChem CID 82091210) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid
PubChem CID82091210
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid
SMILESCOc1ccc(CC(C(=O)O)N2CCCCC2)cc1
InChIInChI=1S/C15H21NO3/c1-19-13-7-5-12(6-8-13)11-14(15(17)18)16-9-3-2-4-10-16/h5-8,14H,2-4,9-11H2,1H3,(H,17,18)
InChIKeyPWXWFXAJWPYLPF-UHFFFAOYSA-N
XLogP2.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 82087126
3-(4-ethylphenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 82086532
(2R)-3-(4-iodophenyl)-2-piperidin-1-ylpropanoic acid
CID 100552666
(2S)-3-(4-butylphenyl)-2-piperidin-1-ylpropanoic acid
CID 100553874
(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid
CID 40787042
methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 20833938
1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine
CID 101409454
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
(2S)-2-amino-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 142904155
2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 42997740
(2R)-2-(azocan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2539196
3-(3-chloro-4-fluorophenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 82134465

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid?
The IUPAC name of 3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid (CID 82091210) is 3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid?
The canonical SMILES for 3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid is COc1ccc(CC(C(=O)O)N2CCCCC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid?
The InChIKey is PWXWFXAJWPYLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-13-7-5-12(6-8-13)11-14(15(17)18)16-9-3-2-4-10-16/h5-8,14H,2-4,9-11H2,1H3,(H,17,18).
What are the key properties of 3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid?
3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid is sourced from PubChem (CID 82091210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).