1-(2-ethoxyethyl)-2-methylpiperidine-4-carboxylic acid

C11H21NO3 — CID 106744774

IUPAC1-(2-ethoxyethyl)-2-methylpiperidine-4-carboxylic acid
SMILESCCOCCN1CCC(C(=O)O)CC1C
InChIInChI=1S/C11H21NO3/c1-3-15-7-6-12-5-4-10(11(13)14)8-9(12)2/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyMYTCNLSIXIALEM-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.21
Rot. Bonds5

About 1-(2-ethoxyethyl)-2-methylpiperidine-4-carboxylic acid

1-(2-ethoxyethyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106744774) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106744774
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-(2-ethoxyethyl)-2-methylpiperidine-4-carboxylic acid
SMILESCCOCCN1CCC(C(=O)O)CC1C
InChIInChI=1S/C11H21NO3/c1-3-15-7-6-12-5-4-10(11(13)14)8-9(12)2/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyMYTCNLSIXIALEM-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine-4-carboxylic acid
CID 106744761
2-methyl-1-octylpiperidine-4-carboxylic acid
CID 106744771
1-heptyl-2-methylpiperidine-4-carboxylic acid
CID 106744769
2-methyl-1-(4-methylpentyl)piperidine-4-carboxylic acid
CID 106745070
2-methyl-1-(4-methylsulfanylbutyl)piperidine-4-carboxylic acid
CID 106745352
1-(2-ethoxyethyl)-2-methylpyrrolidine
CID 175912703
2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid
CID 106745002
2-methyl-1-[4-(methylamino)-4-oxobutyl]piperidine-4-carboxylic acid
CID 106745125
1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid
CID 106745003
1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid
CID 53211434
2-methyl-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 106745088
4-methyl-1-(2-propoxyethyl)piperidine-2-carboxylic acid
CID 106454824

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-ethoxyethyl)-2-methylpiperidine-4-carboxylic acid (CID 106744774) is 1-(2-ethoxyethyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-ethoxyethyl)-2-methylpiperidine-4-carboxylic acid is CCOCCN1CCC(C(=O)O)CC1C.
What is the InChIKey of 1-(2-ethoxyethyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is MYTCNLSIXIALEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-15-7-6-12-5-4-10(11(13)14)8-9(12)2/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 1-(2-ethoxyethyl)-2-methylpiperidine-4-carboxylic acid?
1-(2-ethoxyethyl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 215.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106744774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).