2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propanoic acid

C16H23NO4 — CID 117473385

IUPAC2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propanoic acid
SMILESCOc1cc(N2CCCCC2)c(OC)cc1C(C)C(=O)O
InChIInChI=1S/C16H23NO4/c1-11(16(18)19)12-9-15(21-3)13(10-14(12)20-2)17-7-5-4-6-8-17/h9-11H,4-8H2,1-3H3,(H,18,19)
InChIKeyLDOSKSMAWYVKTP-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.88
Rot. Bonds5

About 2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propanoic acid

2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propanoic acid (PubChem CID 117473385) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propanoic acid
PubChem CID117473385
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propanoic acid
SMILESCOc1cc(N2CCCCC2)c(OC)cc1C(C)C(=O)O
InChIInChI=1S/C16H23NO4/c1-11(16(18)19)12-9-15(21-3)13(10-14(12)20-2)17-7-5-4-6-8-17/h9-11H,4-8H2,1-3H3,(H,18,19)
InChIKeyLDOSKSMAWYVKTP-UHFFFAOYSA-N
XLogP2.88
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)acetic acid
CID 66513276
2-(2-methoxy-5-pyrrolidin-1-ylphenyl)propanoic acid
CID 117376272
2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)ethanol
CID 77130562
(2R)-2-amino-2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
CID 66516038
2-(5-amino-2-piperidin-1-ylphenyl)propanoic acid
CID 10538526
4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid
CID 117492352
2-(2,5-dimethoxy-4-methylsulfanylphenyl)propanoic acid
CID 117394352
1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxylic acid
CID 117490712
2-pyrrolidin-1-yl-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 43803535
3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-3-methylbutanoic acid
CID 117492377
1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone
CID 117472207
2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117415319

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propanoic acid?
The IUPAC name of 2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propanoic acid (CID 117473385) is 2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propanoic acid.
What is the SMILES notation for 2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propanoic acid?
The canonical SMILES for 2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propanoic acid is COc1cc(N2CCCCC2)c(OC)cc1C(C)C(=O)O.
What is the InChIKey of 2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propanoic acid?
The InChIKey is LDOSKSMAWYVKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(16(18)19)12-9-15(21-3)13(10-14(12)20-2)17-7-5-4-6-8-17/h9-11H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propanoic acid?
2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propanoic acid is sourced from PubChem (CID 117473385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).