2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid

C13H19N3O2 — CID 65055730

IUPAC2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid
SMILESCC(c1ccccn1)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C13H19N3O2/c1-11(12-4-2-3-5-14-12)16-8-6-15(7-9-16)10-13(17)18/h2-5,11H,6-10H2,1H3,(H,17,18)
InChIKeySXFNPRUZVGTNTK-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.84
Rot. Bonds4

About 2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid

2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid (PubChem CID 65055730) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid
PubChem CID65055730
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid
SMILESCC(c1ccccn1)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C13H19N3O2/c1-11(12-4-2-3-5-14-12)16-8-6-15(7-9-16)10-13(17)18/h2-5,11H,6-10H2,1H3,(H,17,18)
InChIKeySXFNPRUZVGTNTK-UHFFFAOYSA-N
XLogP0.84
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 65055236
3-oxo-3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 110480160
2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetic acid
CID 119924431
2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid
CID 66435102
2-pyridin-3-yl-1-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 75507878
(1-hydroxycyclohexyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 91660636
N-[(2S)-4-methylsulfanylbutan-2-yl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide
CID 97308528
N-(4-methylsulfanylbutan-2-yl)-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 75478310
1-[(1R)-1-pyridin-2-ylethyl]-4-[[(3S)-thiolan-3-yl]methyl]piperazine
CID 100702759
N-cyclopent-3-en-1-yl-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 75523393
2-[4-[1-(2-methylpyrazol-3-yl)ethyl]-1,4-diazepan-1-yl]acetic acid
CID 106758949
2-[4-[1-(2-bromophenyl)ethyl]-1,4-diazepan-1-yl]acetic acid
CID 65061644

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid (CID 65055730) is 2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid is CC(c1ccccn1)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid?
The InChIKey is SXFNPRUZVGTNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-11(12-4-2-3-5-14-12)16-8-6-15(7-9-16)10-13(17)18/h2-5,11H,6-10H2,1H3,(H,17,18).
What are the key properties of 2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid?
2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 65055730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).