2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]propanoic acid

C16H23NO3 — CID 105345668

IUPAC2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]propanoic acid
SMILESCOC1CCN(Cc2ccc(C(C)C(=O)O)cc2)CC1
InChIInChI=1S/C16H23NO3/c1-12(16(18)19)14-5-3-13(4-6-14)11-17-9-7-15(20-2)8-10-17/h3-6,12,15H,7-11H2,1-2H3,(H,18,19)
InChIKeyBRTZFNKWTLLYMU-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.49
Rot. Bonds5

About 2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]propanoic acid

2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]propanoic acid (PubChem CID 105345668) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]propanoic acid
PubChem CID105345668
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]propanoic acid
SMILESCOC1CCN(Cc2ccc(C(C)C(=O)O)cc2)CC1
InChIInChI=1S/C16H23NO3/c1-12(16(18)19)14-5-3-13(4-6-14)11-17-9-7-15(20-2)8-10-17/h3-6,12,15H,7-11H2,1-2H3,(H,18,19)
InChIKeyBRTZFNKWTLLYMU-UHFFFAOYSA-N
XLogP2.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-ethoxypiperidin-1-yl)methyl]phenyl]propanoic acid
CID 105345726
2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]propanoic acid
CID 105345641
2-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 105345602
2-[4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 102959361
2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 105345603
2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]propanoic acid
CID 105345698
[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanol
CID 112631146
2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenyl]propanoic acid
CID 105345955
[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]boronic acid
CID 54970577
2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]propanoic acid
CID 105346217
2-[4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]phenyl]propanoic acid
CID 105346038
N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62420771

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]propanoic acid?
The IUPAC name of 2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]propanoic acid (CID 105345668) is 2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]propanoic acid.
What is the SMILES notation for 2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]propanoic acid?
The canonical SMILES for 2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]propanoic acid is COC1CCN(Cc2ccc(C(C)C(=O)O)cc2)CC1.
What is the InChIKey of 2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]propanoic acid?
The InChIKey is BRTZFNKWTLLYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(16(18)19)14-5-3-13(4-6-14)11-17-9-7-15(20-2)8-10-17/h3-6,12,15H,7-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]propanoic acid?
2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]propanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]propanoic acid is sourced from PubChem (CID 105345668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).