3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid

C15H21FN2O2 — CID 63069456

IUPAC3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid
SMILESCCC(CC(=O)O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-2-13(11-15(19)20)17-7-9-18(10-8-17)14-5-3-12(16)4-6-14/h3-6,13H,2,7-11H2,1H3,(H,19,20)
InChIKeyGPOWWEKCYQUONJ-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.20
Rot. Bonds5

About 3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid

3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid (PubChem CID 63069456) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid
PubChem CID63069456
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid
SMILESCCC(CC(=O)O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-2-13(11-15(19)20)17-7-9-18(10-8-17)14-5-3-12(16)4-6-14/h3-6,13H,2,7-11H2,1H3,(H,19,20)
InChIKeyGPOWWEKCYQUONJ-UHFFFAOYSA-N
XLogP2.20
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3-methylphenyl)piperazin-1-yl]pentanoic acid
CID 63069110
3-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)butanoic acid
CID 82352281
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 78698233
(2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 97135011
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
N-[[(2R)-butan-2-yl]carbamoyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8703982
(2S)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]hexanoic acid
CID 120615005
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 40792883
(2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 9431608
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
(2R)-2-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 97135183

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid (CID 63069456) is 3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid is CCC(CC(=O)O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid?
The InChIKey is GPOWWEKCYQUONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-13(11-15(19)20)17-7-9-18(10-8-17)14-5-3-12(16)4-6-14/h3-6,13H,2,7-11H2,1H3,(H,19,20).
What are the key properties of 3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid?
3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid has a molecular weight of 280.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid is sourced from PubChem (CID 63069456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).