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

C16H23NO2 — CID 105345602

IUPAC2-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid
SMILESCC1CCN(Cc2ccc(C(C)C(=O)O)cc2)CC1
InChIInChI=1S/C16H23NO2/c1-12-7-9-17(10-8-12)11-14-3-5-15(6-4-14)13(2)16(18)19/h3-6,12-13H,7-11H2,1-2H3,(H,18,19)
InChIKeySZINXJUHLKTAAT-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.11
Rot. Bonds4

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

2-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid (PubChem CID 105345602) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid
PubChem CID105345602
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid
SMILESCC1CCN(Cc2ccc(C(C)C(=O)O)cc2)CC1
InChIInChI=1S/C16H23NO2/c1-12-7-9-17(10-8-12)11-14-3-5-15(6-4-14)13(2)16(18)19/h3-6,12-13H,7-11H2,1-2H3,(H,18,19)
InChIKeySZINXJUHLKTAAT-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]propanoic acid
CID 105345641
2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]propanoic acid
CID 105345668
2-[4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 102959361
2-[4-[(4-ethoxypiperidin-1-yl)methyl]phenyl]propanoic acid
CID 105345726
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
2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenyl]propanoic acid
CID 105345955
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]propanoic acid
CID 105346217
N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 133249994
N-[(2R)-3-methylbutan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 100568254
2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid
CID 23378235

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid?
The IUPAC name of 2-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid (CID 105345602) is 2-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid.
What is the SMILES notation for 2-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid?
The canonical SMILES for 2-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid is CC1CCN(Cc2ccc(C(C)C(=O)O)cc2)CC1.
What is the InChIKey of 2-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid?
The InChIKey is SZINXJUHLKTAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-7-9-17(10-8-12)11-14-3-5-15(6-4-14)13(2)16(18)19/h3-6,12-13H,7-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid?
2-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid has a molecular weight of 261.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid is sourced from PubChem (CID 105345602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).