4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid

C12H17N3O3 — CID 81232649

IUPAC4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1N1CCN(CCO)CC1
InChIInChI=1S/C12H17N3O3/c16-8-7-14-3-5-15(6-4-14)11-1-2-13-9-10(11)12(17)18/h1-2,9,16H,3-8H2,(H,17,18)
InChIKeyKHTQJYBEUJVHAX-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.11
Rot. Bonds4

About 4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid

4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid (PubChem CID 81232649) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid
PubChem CID81232649
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1N1CCN(CCO)CC1
InChIInChI=1S/C12H17N3O3/c16-8-7-14-3-5-15(6-4-14)11-1-2-13-9-10(11)12(17)18/h1-2,9,16H,3-8H2,(H,17,18)
InChIKeyKHTQJYBEUJVHAX-UHFFFAOYSA-N
XLogP-0.11
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid (CID 81232649) is 4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1cnccc1N1CCN(CCO)CC1.
What is the InChIKey of 4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is KHTQJYBEUJVHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-8-7-14-3-5-15(6-4-14)11-1-2-13-9-10(11)12(17)18/h1-2,9,16H,3-8H2,(H,17,18).
What are the key properties of 4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid?
4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 81232649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).