3-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylpropanoic acid

C21H25NO3 — CID 56993017

IUPAC3-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylpropanoic acid
SMILESCOc1ccccc1C1CCN(CC(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C21H25NO3/c1-25-20-10-6-5-9-18(20)17-11-13-22(14-12-17)15-19(21(23)24)16-7-3-2-4-8-16/h2-10,17,19H,11-15H2,1H3,(H,23,24)
InChIKeyHEGNMRRCHKGRRO-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.74
Rot. Bonds6

About 3-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylpropanoic acid

3-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylpropanoic acid (PubChem CID 56993017) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylpropanoic acid
PubChem CID56993017
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name3-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylpropanoic acid
SMILESCOc1ccccc1C1CCN(CC(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C21H25NO3/c1-25-20-10-6-5-9-18(20)17-11-13-22(14-12-17)15-19(21(23)24)16-7-3-2-4-8-16/h2-10,17,19H,11-15H2,1H3,(H,23,24)
InChIKeyHEGNMRRCHKGRRO-UHFFFAOYSA-N
XLogP3.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734
3-[4-(2-methoxyphenyl)piperidin-2-yl]-2-phenylpropanoic acid
CID 67745838
2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]isoindole-1,3-dione
CID 3771326
3-(3-methylpyrrolidin-1-yl)-2-phenylpropanoic acid
CID 63067114
2-(2-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 82091723
4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid
CID 119137597
3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid
CID 103976377
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
2-phenyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 119031136
3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid
CID 63073351
(2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid
CID 131891318
1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol
CID 111436470

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylpropanoic acid?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylpropanoic acid (CID 56993017) is 3-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylpropanoic acid?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylpropanoic acid is COc1ccccc1C1CCN(CC(C(=O)O)c2ccccc2)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylpropanoic acid?
The InChIKey is HEGNMRRCHKGRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-25-20-10-6-5-9-18(20)17-11-13-22(14-12-17)15-19(21(23)24)16-7-3-2-4-8-16/h2-10,17,19H,11-15H2,1H3,(H,23,24).
What are the key properties of 3-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylpropanoic acid?
3-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylpropanoic acid has a molecular weight of 339.44 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylpropanoic acid is sourced from PubChem (CID 56993017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).