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

C21H25NO3 — CID 67745838

IUPAC3-[4-(2-methoxyphenyl)piperidin-2-yl]-2-phenylpropanoic acid
SMILESCOc1ccccc1C1CCNC(CC(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C21H25NO3/c1-25-20-10-6-5-9-18(20)16-11-12-22-17(13-16)14-19(21(23)24)15-7-3-2-4-8-15/h2-10,16-17,19,22H,11-14H2,1H3,(H,23,24)
InChIKeyNBZMWUVXIZVXGO-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.79
Rot. Bonds6

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

3-[4-(2-methoxyphenyl)piperidin-2-yl]-2-phenylpropanoic acid (PubChem CID 67745838) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperidin-2-yl]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperidin-2-yl]-2-phenylpropanoic acid
PubChem CID67745838
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name3-[4-(2-methoxyphenyl)piperidin-2-yl]-2-phenylpropanoic acid
SMILESCOc1ccccc1C1CCNC(CC(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C21H25NO3/c1-25-20-10-6-5-9-18(20)16-11-12-22-17(13-16)14-19(21(23)24)15-7-3-2-4-8-15/h2-10,16-17,19,22H,11-14H2,1H3,(H,23,24)
InChIKeyNBZMWUVXIZVXGO-UHFFFAOYSA-N
XLogP3.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylpropanoic acid
CID 56993017
methyl (2S,4R)-4-(2-methoxyphenyl)piperidine-2-carboxylate
CID 96530315
[4-(2-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 117270818
3-(2-methoxyphenyl)cyclopentan-1-ol
CID 64516267
4-(2-methoxyphenyl)piperidine
CID 544738
4-(2-bromophenyl)-2-(methoxymethyl)piperidine
CID 117258595
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 120733699
(2R)-2-(2-methoxyphenyl)azetidine
CID 92670019
4-(2-methoxyphenyl)oxolane-2-carboxylic acid
CID 175762342
4-(2,3-dimethoxyphenyl)-N-ethylpiperidine-2-carboxamide
CID 82784754
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
[2-(2-methoxyphenyl)piperidin-4-yl]methanol
CID 105477698

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperidin-2-yl]-2-phenylpropanoic acid?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperidin-2-yl]-2-phenylpropanoic acid (CID 67745838) is 3-[4-(2-methoxyphenyl)piperidin-2-yl]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperidin-2-yl]-2-phenylpropanoic acid?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperidin-2-yl]-2-phenylpropanoic acid is COc1ccccc1C1CCNC(CC(C(=O)O)c2ccccc2)C1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperidin-2-yl]-2-phenylpropanoic acid?
The InChIKey is NBZMWUVXIZVXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-25-20-10-6-5-9-18(20)16-11-12-22-17(13-16)14-19(21(23)24)15-7-3-2-4-8-15/h2-10,16-17,19,22H,11-14H2,1H3,(H,23,24).
What are the key properties of 3-[4-(2-methoxyphenyl)piperidin-2-yl]-2-phenylpropanoic acid?
3-[4-(2-methoxyphenyl)piperidin-2-yl]-2-phenylpropanoic acid has a molecular weight of 339.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperidin-2-yl]-2-phenylpropanoic acid is sourced from PubChem (CID 67745838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).