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

C9H17FN2O2 — CID 80695764

IUPAC2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(CCF)CC1
InChIInChI=1S/C9H17FN2O2/c1-8(9(13)14)12-6-4-11(3-2-10)5-7-12/h8H,2-7H2,1H3,(H,13,14)
InChIKeyBFQPGLWDJQRXAE-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.05
Rot. Bonds4

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

2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid (PubChem CID 80695764) has the molecular formula C9H17FN2O2 and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid
PubChem CID80695764
Molecular FormulaC9H17FN2O2
Molecular Weight204.24 g/mol
Exact Mass204.13
IUPAC Name2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(CCF)CC1
InChIInChI=1S/C9H17FN2O2/c1-8(9(13)14)12-6-4-11(3-2-10)5-7-12/h8H,2-7H2,1H3,(H,13,14)
InChIKeyBFQPGLWDJQRXAE-UHFFFAOYSA-N
XLogP0.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
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2-(4-nonylpiperazin-1-yl)propanoic acid
CID 62310084
(2S)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]propanoic acid
CID 94397150
2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]propanoic acid
CID 114525897
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425
2-[4-(2-propoxyethyl)piperazin-1-yl]propanoic acid
CID 106454666
2-[4-(1-carboxyethyl)-7-(2-oxobutyl)-1,4,7-triazonan-1-yl]propanoic acid
CID 156732078
2-[4-(2-ethylbutyl)piperazin-1-yl]propanoic acid
CID 65062556
2-(4-prop-2-ynylpiperazin-1-yl)propanoic acid
CID 62311285
2-[4-(2-butoxyethyl)piperazin-1-yl]propanoic acid
CID 62311492
2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one
CID 151041941

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid (CID 80695764) is 2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(CCF)CC1.
What is the InChIKey of 2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid?
The InChIKey is BFQPGLWDJQRXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O2/c1-8(9(13)14)12-6-4-11(3-2-10)5-7-12/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid?
2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid has a molecular weight of 204.24 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 80695764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).