1-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid;hydrochloride

C10H14ClN3O3 — CID 71646293

IUPAC1-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CNCCN1c1ncccc1O
InChIInChI=1S/C10H13N3O3.ClH/c14-8-2-1-3-12-9(8)13-5-4-11-6-7(13)10(15)16;/h1-3,7,11,14H,4-6H2,(H,15,16);1H
InChIKeyDYKWAPWTOXCHFS-UHFFFAOYSA-N
MW259.69 g/mol
LogP0.07
Rot. Bonds2

About 1-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid;hydrochloride

1-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid;hydrochloride (PubChem CID 71646293) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 1-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid;hydrochloride
PubChem CID71646293
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name1-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CNCCN1c1ncccc1O
InChIInChI=1S/C10H13N3O3.ClH/c14-8-2-1-3-12-9(8)13-5-4-11-6-7(13)10(15)16;/h1-3,7,11,14H,4-6H2,(H,15,16);1H
InChIKeyDYKWAPWTOXCHFS-UHFFFAOYSA-N
XLogP0.07
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid;hydrochloride?
The IUPAC name of 1-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid;hydrochloride (CID 71646293) is 1-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1CNCCN1c1ncccc1O.
What is the InChIKey of 1-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid;hydrochloride?
The InChIKey is DYKWAPWTOXCHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3.ClH/c14-8-2-1-3-12-9(8)13-5-4-11-6-7(13)10(15)16;/h1-3,7,11,14H,4-6H2,(H,15,16);1H.
What are the key properties of 1-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid;hydrochloride?
1-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid;hydrochloride has a molecular weight of 259.69 g/mol, XLogP of 0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 71646293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).