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

C17H25NO3 — CID 105345726

IUPAC2-[4-[(4-ethoxypiperidin-1-yl)methyl]phenyl]propanoic acid
SMILESCCOC1CCN(Cc2ccc(C(C)C(=O)O)cc2)CC1
InChIInChI=1S/C17H25NO3/c1-3-21-16-8-10-18(11-9-16)12-14-4-6-15(7-5-14)13(2)17(19)20/h4-7,13,16H,3,8-12H2,1-2H3,(H,19,20)
InChIKeyVAEQCTHRTGBGDT-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.88
Rot. Bonds6

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

2-[4-[(4-ethoxypiperidin-1-yl)methyl]phenyl]propanoic acid (PubChem CID 105345726) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[4-[(4-ethoxypiperidin-1-yl)methyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(4-ethoxypiperidin-1-yl)methyl]phenyl]propanoic acid
PubChem CID105345726
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[4-[(4-ethoxypiperidin-1-yl)methyl]phenyl]propanoic acid
SMILESCCOC1CCN(Cc2ccc(C(C)C(=O)O)cc2)CC1
InChIInChI=1S/C17H25NO3/c1-3-21-16-8-10-18(11-9-16)12-14-4-6-15(7-5-14)13(2)17(19)20/h4-7,13,16H,3,8-12H2,1-2H3,(H,19,20)
InChIKeyVAEQCTHRTGBGDT-UHFFFAOYSA-N
XLogP2.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]propanoic acid
CID 105345668
2-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 105345602
2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]propanoic acid
CID 105345641
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-ethoxy-1-[(4-iodophenyl)methyl]piperidine
CID 65478371
2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenyl]propanoic acid
CID 105345955
2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid
CID 105344947
4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzoic acid
CID 103498140
2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]propanoic acid
CID 105346217
2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline
CID 61219359

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethoxypiperidin-1-yl)methyl]phenyl]propanoic acid?
The IUPAC name of 2-[4-[(4-ethoxypiperidin-1-yl)methyl]phenyl]propanoic acid (CID 105345726) is 2-[4-[(4-ethoxypiperidin-1-yl)methyl]phenyl]propanoic acid.
What is the SMILES notation for 2-[4-[(4-ethoxypiperidin-1-yl)methyl]phenyl]propanoic acid?
The canonical SMILES for 2-[4-[(4-ethoxypiperidin-1-yl)methyl]phenyl]propanoic acid is CCOC1CCN(Cc2ccc(C(C)C(=O)O)cc2)CC1.
What is the InChIKey of 2-[4-[(4-ethoxypiperidin-1-yl)methyl]phenyl]propanoic acid?
The InChIKey is VAEQCTHRTGBGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-21-16-8-10-18(11-9-16)12-14-4-6-15(7-5-14)13(2)17(19)20/h4-7,13,16H,3,8-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-[(4-ethoxypiperidin-1-yl)methyl]phenyl]propanoic acid?
2-[4-[(4-ethoxypiperidin-1-yl)methyl]phenyl]propanoic acid has a molecular weight of 291.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethoxypiperidin-1-yl)methyl]phenyl]propanoic acid is sourced from PubChem (CID 105345726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).