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

C14H21N3O2 — CID 55057978

IUPAC2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C14H21N3O2/c1-12(14(18)19)17-10-8-16(9-11-17)7-5-13-4-2-3-6-15-13/h2-4,6,12H,5,7-11H2,1H3,(H,18,19)
InChIKeyCWNDFENYQHFTTK-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.71
Rot. Bonds5

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

2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid (PubChem CID 55057978) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
PubChem CID55057978
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C14H21N3O2/c1-12(14(18)19)17-10-8-16(9-11-17)7-5-13-4-2-3-6-15-13/h2-4,6,12H,5,7-11H2,1H3,(H,18,19)
InChIKeyCWNDFENYQHFTTK-UHFFFAOYSA-N
XLogP0.71
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(S)-carboxy-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1-methylindole-2-carboxylic acid
CID 51720080
phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 2090123
1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone
CID 91843582
2-[1-(carboxymethyl)indol-3-yl]-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]acetic acid
CID 45491159
4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 55179316
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]butanenitrile
CID 63339911
1-propan-2-yloxy-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol;hydrochloride
CID 56723815
3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95288523
2-[4-(3-phenylbutyl)piperazin-1-yl]propanoic acid
CID 65062408
4-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-ol
CID 80702351
methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
CID 60648150
3-phenyl-1-[4-(2-pyridin-2-ylethyl)-1,4-diazepan-1-yl]propan-1-one
CID 71923297

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid (CID 55057978) is 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(CCc2ccccn2)CC1.
What is the InChIKey of 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid?
The InChIKey is CWNDFENYQHFTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-12(14(18)19)17-10-8-16(9-11-17)7-5-13-4-2-3-6-15-13/h2-4,6,12H,5,7-11H2,1H3,(H,18,19).
What are the key properties of 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid?
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 55057978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).