3-ethoxypiperidine-1-carboxylic acid

C8H15NO3 — CID 69042179

IUPAC3-ethoxypiperidine-1-carboxylic acid
SMILESCCOC1CCCN(C(=O)O)C1
InChIInChI=1S/C8H15NO3/c1-2-12-7-4-3-5-9(6-7)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyRWAWAONVPHLYSC-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.17
Rot. Bonds2

About 3-ethoxypiperidine-1-carboxylic acid

3-ethoxypiperidine-1-carboxylic acid (PubChem CID 69042179) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-ethoxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-ethoxypiperidine-1-carboxylic acid
PubChem CID69042179
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name3-ethoxypiperidine-1-carboxylic acid
SMILESCCOC1CCCN(C(=O)O)C1
InChIInChI=1S/C8H15NO3/c1-2-12-7-4-3-5-9(6-7)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyRWAWAONVPHLYSC-UHFFFAOYSA-N
XLogP1.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxypiperidine-1-carboxylic acid?
The IUPAC name of 3-ethoxypiperidine-1-carboxylic acid (CID 69042179) is 3-ethoxypiperidine-1-carboxylic acid.
What is the SMILES notation for 3-ethoxypiperidine-1-carboxylic acid?
The canonical SMILES for 3-ethoxypiperidine-1-carboxylic acid is CCOC1CCCN(C(=O)O)C1.
What is the InChIKey of 3-ethoxypiperidine-1-carboxylic acid?
The InChIKey is RWAWAONVPHLYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-12-7-4-3-5-9(6-7)8(10)11/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 3-ethoxypiperidine-1-carboxylic acid?
3-ethoxypiperidine-1-carboxylic acid has a molecular weight of 173.21 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypiperidine-1-carboxylic acid is sourced from PubChem (CID 69042179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).