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

C10H19NO4 — CID 12032076

IUPAC1-(2-ethoxyethyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCCOCCN1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C10H19NO4/c1-2-15-8-7-11-5-3-10(14,4-6-11)9(12)13/h14H,2-8H2,1H3,(H,12,13)
InChIKeyAXYAAHSWTMLDTE-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.07
Rot. Bonds5

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

1-(2-ethoxyethyl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 12032076) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID12032076
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name1-(2-ethoxyethyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCCOCCN1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C10H19NO4/c1-2-15-8-7-11-5-3-10(14,4-6-11)9(12)13/h14H,2-8H2,1H3,(H,12,13)
InChIKeyAXYAAHSWTMLDTE-UHFFFAOYSA-N
XLogP-0.07
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-ethoxyethyl)-4-hydroxypiperidine-4-carboxylic acid (CID 12032076) is 1-(2-ethoxyethyl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxyethyl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-ethoxyethyl)-4-hydroxypiperidine-4-carboxylic acid is CCOCCN1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-(2-ethoxyethyl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is AXYAAHSWTMLDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-2-15-8-7-11-5-3-10(14,4-6-11)9(12)13/h14H,2-8H2,1H3,(H,12,13).
What are the key properties of 1-(2-ethoxyethyl)-4-hydroxypiperidine-4-carboxylic acid?
1-(2-ethoxyethyl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 217.26 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 12032076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).