3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid

C11H21NO3 — CID 63137169

IUPAC3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(CC(C)O)C1
InChIInChI=1S/C11H21NO3/c1-3-11(10(14)15)5-4-6-12(8-11)7-9(2)13/h9,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyMCEOTPOKGUJWRV-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.94
Rot. Bonds4

About 3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid

3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid (PubChem CID 63137169) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid
PubChem CID63137169
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(CC(C)O)C1
InChIInChI=1S/C11H21NO3/c1-3-11(10(14)15)5-4-6-12(8-11)7-9(2)13/h9,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyMCEOTPOKGUJWRV-UHFFFAOYSA-N
XLogP0.94
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 55222175
3-ethyl-1-nonylpiperidine-3-carboxylic acid
CID 63137490
3-ethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 63137615
3-ethyl-1-(2-ethylbutyl)pyrrolidine-3-carboxylic acid
CID 65063747
1-[2-(dimethylamino)-2-oxoethyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136962
3-ethyl-1-(2-hydroxy-2-methylbutyl)piperidine-3-carboxylic acid
CID 114494933
3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63136014
3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid
CID 65069025
1-(4,4-dimethylpent-2-ynyl)-3-ethylpiperidine-3-carboxylic acid
CID 114190047
3-ethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 64773302
3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid
CID 63140519
1-(1-cyclopentylethyl)-3-ethylpiperidine-3-carboxylic acid
CID 65068729

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid (CID 63137169) is 3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(CC(C)O)C1.
What is the InChIKey of 3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid?
The InChIKey is MCEOTPOKGUJWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-11(10(14)15)5-4-6-12(8-11)7-9(2)13/h9,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid?
3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid has a molecular weight of 215.29 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63137169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).