3-ethyl-1-(oxan-4-yl)piperidine-3-carboxylic acid

C13H23NO3 — CID 63936052

IUPAC3-ethyl-1-(oxan-4-yl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C2CCOCC2)C1
InChIInChI=1S/C13H23NO3/c1-2-13(12(15)16)6-3-7-14(10-13)11-4-8-17-9-5-11/h11H,2-10H2,1H3,(H,15,16)
InChIKeyFRVXJCSKNFLWON-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.74
Rot. Bonds3

About 3-ethyl-1-(oxan-4-yl)piperidine-3-carboxylic acid

3-ethyl-1-(oxan-4-yl)piperidine-3-carboxylic acid (PubChem CID 63936052) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-ethyl-1-(oxan-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(oxan-4-yl)piperidine-3-carboxylic acid
PubChem CID63936052
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-ethyl-1-(oxan-4-yl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C2CCOCC2)C1
InChIInChI=1S/C13H23NO3/c1-2-13(12(15)16)6-3-7-14(10-13)11-4-8-17-9-5-11/h11H,2-10H2,1H3,(H,15,16)
InChIKeyFRVXJCSKNFLWON-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid
CID 64747777
1-(oxepan-4-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65080564
1-cycloheptyl-3-propylpiperidine-3-carboxylic acid
CID 65068602
1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
CID 65069083
1-cyclopentyl-4-ethylpiperidine-4-carboxylic acid
CID 63126612
1-(3-methyloxan-4-yl)-3-propylpiperidine-3-carboxylic acid
CID 114240734
3-ethyl-1-(oxan-3-ylmethyl)piperidine-3-carboxylic acid
CID 65068448
4-fluoro-1-(oxan-4-yl)azepane-4-carboxylic acid
CID 115055710
1-(1,1-dioxothian-3-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 65064274
1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65069095
2-ethyl-1-(oxepan-4-yl)pyrrolidine-2-carboxylic acid
CID 83080819
3-ethyl-1-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 104855679

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(oxan-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(oxan-4-yl)piperidine-3-carboxylic acid (CID 63936052) is 3-ethyl-1-(oxan-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(oxan-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(oxan-4-yl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C2CCOCC2)C1.
What is the InChIKey of 3-ethyl-1-(oxan-4-yl)piperidine-3-carboxylic acid?
The InChIKey is FRVXJCSKNFLWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-13(12(15)16)6-3-7-14(10-13)11-4-8-17-9-5-11/h11H,2-10H2,1H3,(H,15,16).
What are the key properties of 3-ethyl-1-(oxan-4-yl)piperidine-3-carboxylic acid?
3-ethyl-1-(oxan-4-yl)piperidine-3-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(oxan-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63936052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).