1-(2-hydroxyethyl)piperidine-3-carboxylic acid

C8H15NO3 — CID 21266355

IUPAC1-(2-hydroxyethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CCO)C1
InChIInChI=1S/C8H15NO3/c10-5-4-9-3-1-2-7(6-9)8(11)12/h7,10H,1-6H2,(H,11,12)
InChIKeyJJKYOTBAUFASAX-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.22
Rot. Bonds3

About 1-(2-hydroxyethyl)piperidine-3-carboxylic acid

1-(2-hydroxyethyl)piperidine-3-carboxylic acid (PubChem CID 21266355) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethyl)piperidine-3-carboxylic acid
PubChem CID21266355
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name1-(2-hydroxyethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CCO)C1
InChIInChI=1S/C8H15NO3/c10-5-4-9-3-1-2-7(6-9)8(11)12/h7,10H,1-6H2,(H,11,12)
InChIKeyJJKYOTBAUFASAX-UHFFFAOYSA-N
XLogP-0.22
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylpiperidine-3-carboxylic Acid
CID 2736937
1-(2-Aminooxyethyl)piperidine-3-carboxylic acid
CID 19971670
1-Methylpiperidine-3-carboxylic acid hydrochloride
CID 12514711
1-(2-Methylpropyl)piperidine-3-carboxylic acid
CID 16769591
1-Ethylpiperidine-3-carboxylic acid hydrochloride
CID 45075038
(3S)-1-methylpiperidine-3-carboxylicacidhydrochloride
CID 67923100
(3R)-1-methylpiperidine-3-carboxylic acid hydrochloride
CID 67923152
3-Carboxy-1,1-dimethylpiperidin-1-ium chloride
CID 44382203
1-Ethylpiperidine-3-carboxylic acid
CID 22056640
1-formylpiperidine-3-carboxylic Acid
CID 2759231
N-Methyl-3-carbomethoxy-4-hydroxypiperidine
CID 3029557
(S)-1-Methylpiperidine-3-carboxylic acid
CID 7019009

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethyl)piperidine-3-carboxylic acid (CID 21266355) is 1-(2-hydroxyethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(CCO)C1.
What is the InChIKey of 1-(2-hydroxyethyl)piperidine-3-carboxylic acid?
The InChIKey is JJKYOTBAUFASAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c10-5-4-9-3-1-2-7(6-9)8(11)12/h7,10H,1-6H2,(H,11,12).
What are the key properties of 1-(2-hydroxyethyl)piperidine-3-carboxylic acid?
1-(2-hydroxyethyl)piperidine-3-carboxylic acid has a molecular weight of 173.21 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 21266355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).