2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]propanoic acid

C16H23NO5 — CID 119134759

IUPAC2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]propanoic acid
SMILESCOc1cccc(OC)c1OC1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C16H23NO5/c1-11(16(18)19)17-9-7-12(8-10-17)22-15-13(20-2)5-4-6-14(15)21-3/h4-6,11-12H,7-10H2,1-3H3,(H,18,19)
InChIKeyQZZUSLXSCIQYLW-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.02
Rot. Bonds6

About 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]propanoic acid

2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]propanoic acid (PubChem CID 119134759) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]propanoic acid
PubChem CID119134759
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]propanoic acid
SMILESCOc1cccc(OC)c1OC1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C16H23NO5/c1-11(16(18)19)17-9-7-12(8-10-17)22-15-13(20-2)5-4-6-14(15)21-3/h4-6,11-12H,7-10H2,1-3H3,(H,18,19)
InChIKeyQZZUSLXSCIQYLW-UHFFFAOYSA-N
XLogP2.02
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]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-(2,6-dimethoxyphenoxy)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975654
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 95573565
(2R)-2-[4-(2,6-dimethylphenoxy)piperidin-1-yl]propanamide
CID 94413323
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid
CID 117053796
2-[2-(2,3-dimethoxyphenyl)morpholin-4-yl]propanoic acid
CID 57242341
2-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propanoic acid
CID 119134924
2-(4-phenoxypiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride
CID 117067726
N-[1-(2-chlorophenyl)ethyl]-2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]acetamide
CID 60503652
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 56796149
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 56796144
2-[3-methoxy-2-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol
CID 117448321
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56797957

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]propanoic acid (CID 119134759) is 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]propanoic acid is COc1cccc(OC)c1OC1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]propanoic acid?
The InChIKey is QZZUSLXSCIQYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-11(16(18)19)17-9-7-12(8-10-17)22-15-13(20-2)5-4-6-14(15)21-3/h4-6,11-12H,7-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]propanoic acid?
2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]propanoic acid has a molecular weight of 309.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 119134759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).