1-[1-(2-hydroxy-5-methoxyphenyl)ethyl]piperidine-2-carboxylic acid

C15H21NO4 — CID 65054114

IUPAC1-[1-(2-hydroxy-5-methoxyphenyl)ethyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(O)c(C(C)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C15H21NO4/c1-10(12-9-11(20-2)6-7-14(12)17)16-8-4-3-5-13(16)15(18)19/h6-7,9-10,13,17H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyZEPHBJQBMSQSAE-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.40
Rot. Bonds4

About 1-[1-(2-hydroxy-5-methoxyphenyl)ethyl]piperidine-2-carboxylic acid

1-[1-(2-hydroxy-5-methoxyphenyl)ethyl]piperidine-2-carboxylic acid (PubChem CID 65054114) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[1-(2-hydroxy-5-methoxyphenyl)ethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-hydroxy-5-methoxyphenyl)ethyl]piperidine-2-carboxylic acid
PubChem CID65054114
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name1-[1-(2-hydroxy-5-methoxyphenyl)ethyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(O)c(C(C)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C15H21NO4/c1-10(12-9-11(20-2)6-7-14(12)17)16-8-4-3-5-13(16)15(18)19/h6-7,9-10,13,17H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyZEPHBJQBMSQSAE-UHFFFAOYSA-N
XLogP2.40
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2,5-dimethoxyphenyl)propyl]piperidine-2-carboxylic acid
CID 4559409
1-[(5-bromo-2-methoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3686880
1-[(2,5-dimethoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3934510
1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid
CID 107707800
1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid
CID 3881727
1-[(2,5-dimethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-2-carboxylic acid
CID 5040339
1-[(2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
CID 4272762
1-[(2,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3945279
1-[(3-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5033524
1-[(2,5-dimethoxyphenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3323628
1-[(2,5-dimethoxyphenyl)-(3-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 4027240
1-[(4-chlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4262373

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxy-5-methoxyphenyl)ethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(2-hydroxy-5-methoxyphenyl)ethyl]piperidine-2-carboxylic acid (CID 65054114) is 1-[1-(2-hydroxy-5-methoxyphenyl)ethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2-hydroxy-5-methoxyphenyl)ethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(2-hydroxy-5-methoxyphenyl)ethyl]piperidine-2-carboxylic acid is COc1ccc(O)c(C(C)N2CCCCC2C(=O)O)c1.
What is the InChIKey of 1-[1-(2-hydroxy-5-methoxyphenyl)ethyl]piperidine-2-carboxylic acid?
The InChIKey is ZEPHBJQBMSQSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(12-9-11(20-2)6-7-14(12)17)16-8-4-3-5-13(16)15(18)19/h6-7,9-10,13,17H,3-5,8H2,1-2H3,(H,18,19).
What are the key properties of 1-[1-(2-hydroxy-5-methoxyphenyl)ethyl]piperidine-2-carboxylic acid?
1-[1-(2-hydroxy-5-methoxyphenyl)ethyl]piperidine-2-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxy-5-methoxyphenyl)ethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 65054114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).