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

C12H23NO3 — CID 114494750

IUPAC1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxylic acid
SMILESCCC(O)(CC)CN1CCCC(C(=O)O)C1
InChIInChI=1S/C12H23NO3/c1-3-12(16,4-2)9-13-7-5-6-10(8-13)11(14)15/h10,16H,3-9H2,1-2H3,(H,14,15)
InChIKeySRECJQTWYHXBKT-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.33
Rot. Bonds5

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

1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxylic acid (PubChem CID 114494750) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxylic acid
PubChem CID114494750
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxylic acid
SMILESCCC(O)(CC)CN1CCCC(C(=O)O)C1
InChIInChI=1S/C12H23NO3/c1-3-12(16,4-2)9-13-7-5-6-10(8-13)11(14)15/h10,16H,3-9H2,1-2H3,(H,14,15)
InChIKeySRECJQTWYHXBKT-UHFFFAOYSA-N
XLogP1.33
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxamide
CID 114496435
1-(2-ethyl-2-hydroxybutyl)piperidin-3-ol
CID 115919280
1-(methoxymethyl)piperidine-3-carboxylic acid
CID 67043579
1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385879
1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid
CID 43808023
ethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
CID 81339381
1-(3,3-difluorobutyl)piperidine-3-carboxylic acid
CID 84686575
1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid
CID 170458411
(3S)-1-(cyclopentylmethyl)piperidine-3-carboxylic acid
CID 51441057
1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride
CID 53393263
1-(2-methoxy-2,2-diphenylethyl)piperidine-3-carboxylic acid
CID 174416166
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxylic acid (CID 114494750) is 1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxylic acid is CCC(O)(CC)CN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxylic acid?
The InChIKey is SRECJQTWYHXBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-12(16,4-2)9-13-7-5-6-10(8-13)11(14)15/h10,16H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxylic acid?
1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxylic acid has a molecular weight of 229.32 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 114494750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).