2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid

C14H19NO3 — CID 18184335

IUPAC2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid
SMILESCOc1cccc(C2CCN(CC(=O)O)CC2)c1
InChIInChI=1S/C14H19NO3/c1-18-13-4-2-3-12(9-13)11-5-7-15(8-6-11)10-14(16)17/h2-4,9,11H,5-8,10H2,1H3,(H,16,17)
InChIKeyCQEUITQZHWNYNU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.96
Rot. Bonds4

About 2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid

2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid (PubChem CID 18184335) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid
PubChem CID18184335
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid
SMILESCOc1cccc(C2CCN(CC(=O)O)CC2)c1
InChIInChI=1S/C14H19NO3/c1-18-13-4-2-3-12(9-13)11-5-7-15(8-6-11)10-14(16)17/h2-4,9,11H,5-8,10H2,1H3,(H,16,17)
InChIKeyCQEUITQZHWNYNU-UHFFFAOYSA-N
XLogP1.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic 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

4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid
CID 119135089
1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 51688220
2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 110479220
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 110460440
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
[4-(3-methoxyphenyl)cyclohexyl]carbamic acid
CID 69226808
3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481
1-amino-4-(3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 22145256

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid (CID 18184335) is 2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid is COc1cccc(C2CCN(CC(=O)O)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid?
The InChIKey is CQEUITQZHWNYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-13-4-2-3-12(9-13)11-5-7-15(8-6-11)10-14(16)17/h2-4,9,11H,5-8,10H2,1H3,(H,16,17).
What are the key properties of 2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid?
2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 18184335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).