1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylic acid

C13H24N2O3 — CID 54889517

IUPAC1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylic acid
SMILESCCN1CCC(NCC2CCCO2)(C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-2-15-7-5-13(6-8-15,12(16)17)14-10-11-4-3-9-18-11/h11,14H,2-10H2,1H3,(H,16,17)
InChIKeyIMQLFMOUWDSQKB-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.69
Rot. Bonds5

About 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylic acid

1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylic acid (PubChem CID 54889517) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylic acid
PubChem CID54889517
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylic acid
SMILESCCN1CCC(NCC2CCCO2)(C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-2-15-7-5-13(6-8-15,12(16)17)14-10-11-4-3-9-18-11/h11,14H,2-10H2,1H3,(H,16,17)
InChIKeyIMQLFMOUWDSQKB-UHFFFAOYSA-N
XLogP0.69
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylic acid?
The IUPAC name of 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylic acid (CID 54889517) is 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylic acid?
The canonical SMILES for 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylic acid is CCN1CCC(NCC2CCCO2)(C(=O)O)CC1.
What is the InChIKey of 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylic acid?
The InChIKey is IMQLFMOUWDSQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-15-7-5-13(6-8-15,12(16)17)14-10-11-4-3-9-18-11/h11,14H,2-10H2,1H3,(H,16,17).
What are the key properties of 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylic acid?
1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylic acid is sourced from PubChem (CID 54889517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).