3-ethyl-1-(2-hydroxy-2-methylbutyl)piperidine-3-carboxylic acid

C13H25NO3 — CID 114494933

IUPAC3-ethyl-1-(2-hydroxy-2-methylbutyl)piperidine-3-carboxylic acid
SMILESCCC(C)(O)CN1CCCC(CC)(C(=O)O)C1
InChIInChI=1S/C13H25NO3/c1-4-12(3,17)9-14-8-6-7-13(5-2,10-14)11(15)16/h17H,4-10H2,1-3H3,(H,15,16)
InChIKeyXSGPWPXMJWOUEX-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.72
Rot. Bonds5

About 3-ethyl-1-(2-hydroxy-2-methylbutyl)piperidine-3-carboxylic acid

3-ethyl-1-(2-hydroxy-2-methylbutyl)piperidine-3-carboxylic acid (PubChem CID 114494933) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-ethyl-1-(2-hydroxy-2-methylbutyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(2-hydroxy-2-methylbutyl)piperidine-3-carboxylic acid
PubChem CID114494933
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name3-ethyl-1-(2-hydroxy-2-methylbutyl)piperidine-3-carboxylic acid
SMILESCCC(C)(O)CN1CCCC(CC)(C(=O)O)C1
InChIInChI=1S/C13H25NO3/c1-4-12(3,17)9-14-8-6-7-13(5-2,10-14)11(15)16/h17H,4-10H2,1-3H3,(H,15,16)
InChIKeyXSGPWPXMJWOUEX-UHFFFAOYSA-N
XLogP1.72
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,4-dimethylpent-2-ynyl)-3-ethylpiperidine-3-carboxylic acid
CID 114190047
3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid
CID 63137169
3-ethyl-1-nonylpiperidine-3-carboxylic acid
CID 63137490
3-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
CID 63148391
1-[2-(dimethylamino)-2-oxoethyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136962
3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid
CID 63140519
1-(2-hydroxy-2-methylbutyl)cycloheptane-1-carboxylic acid
CID 114497614
3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 55222175
3-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 65068542
3-ethyl-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 81318651
3-ethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 63137615
1-(3,3-difluoropyrrolidin-1-yl)-2-methylbutan-2-ol
CID 126989193

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-hydroxy-2-methylbutyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(2-hydroxy-2-methylbutyl)piperidine-3-carboxylic acid (CID 114494933) is 3-ethyl-1-(2-hydroxy-2-methylbutyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(2-hydroxy-2-methylbutyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(2-hydroxy-2-methylbutyl)piperidine-3-carboxylic acid is CCC(C)(O)CN1CCCC(CC)(C(=O)O)C1.
What is the InChIKey of 3-ethyl-1-(2-hydroxy-2-methylbutyl)piperidine-3-carboxylic acid?
The InChIKey is XSGPWPXMJWOUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-12(3,17)9-14-8-6-7-13(5-2,10-14)11(15)16/h17H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 3-ethyl-1-(2-hydroxy-2-methylbutyl)piperidine-3-carboxylic acid?
3-ethyl-1-(2-hydroxy-2-methylbutyl)piperidine-3-carboxylic acid has a molecular weight of 243.35 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-hydroxy-2-methylbutyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 114494933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).