2-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid

C15H21NO5 — CID 65065719

IUPAC2-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
SMILESCOc1ccc(O)c(CN2CCC(OCC(=O)O)CC2)c1
InChIInChI=1S/C15H21NO5/c1-20-13-2-3-14(17)11(8-13)9-16-6-4-12(5-7-16)21-10-15(18)19/h2-3,8,12,17H,4-7,9-10H2,1H3,(H,18,19)
InChIKeyMAGIBVGHEUUCFN-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.47
Rot. Bonds6

About 2-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid

2-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid (PubChem CID 65065719) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
PubChem CID65065719
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name2-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
SMILESCOc1ccc(O)c(CN2CCC(OCC(=O)O)CC2)c1
InChIInChI=1S/C15H21NO5/c1-20-13-2-3-14(17)11(8-13)9-16-6-4-12(5-7-16)21-10-15(18)19/h2-3,8,12,17H,4-7,9-10H2,1H3,(H,18,19)
InChIKeyMAGIBVGHEUUCFN-UHFFFAOYSA-N
XLogP1.47
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]oxyacetic 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

N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 103917998
2-[4-[(2-hydroxy-5-methoxyphenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65061405
2-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 63904119
4-methoxy-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981208
2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol
CID 55217645
2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol
CID 113351697
4-methoxy-2-[(4-propylpiperazin-1-yl)methyl]phenol
CID 82975290
4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol
CID 165144364
2-[1-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065574
2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline
CID 115413849
2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065761
N-[(1R)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2-dimethylpropanamide
CID 42236999

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid (CID 65065719) is 2-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid is COc1ccc(O)c(CN2CCC(OCC(=O)O)CC2)c1.
What is the InChIKey of 2-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is MAGIBVGHEUUCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-20-13-2-3-14(17)11(8-13)9-16-6-4-12(5-7-16)21-10-15(18)19/h2-3,8,12,17H,4-7,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid?
2-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 295.33 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 65065719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).