2-(4-cyclopentylpiperazin-1-yl)-6-fluorobenzoic acid

C16H21FN2O2 — CID 79515634

IUPAC2-(4-cyclopentylpiperazin-1-yl)-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H21FN2O2/c17-13-6-3-7-14(15(13)16(20)21)19-10-8-18(9-11-19)12-4-1-2-5-12/h3,6-7,12H,1-2,4-5,8-11H2,(H,20,21)
InChIKeyVPRDARATXMCXLQ-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.59
Rot. Bonds3

About 2-(4-cyclopentylpiperazin-1-yl)-6-fluorobenzoic acid

2-(4-cyclopentylpiperazin-1-yl)-6-fluorobenzoic acid (PubChem CID 79515634) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)-6-fluorobenzoic acid
PubChem CID79515634
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H21FN2O2/c17-13-6-3-7-14(15(13)16(20)21)19-10-8-18(9-11-19)12-4-1-2-5-12/h3,6-7,12H,1-2,4-5,8-11H2,(H,20,21)
InChIKeyVPRDARATXMCXLQ-UHFFFAOYSA-N
XLogP2.59
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclopentylpiperazin-1-yl)-6-fluorobenzenecarbothioamide
CID 79515253
2-chloro-6-(4-cyclopropylpiperazin-1-yl)benzoic acid
CID 61441756
2-(4-ethylpiperazin-1-yl)-6-fluorobenzoic acid
CID 79522441
1-cyclohexyl-4-(2-fluorophenyl)piperazine;propane
CID 143719363
1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-6-fluorophenyl]ethanone
CID 63151021
2-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid
CID 55101340
azane;2-(4-benzylpiperazin-1-yl)-6-fluorobenzoic acid
CID 174394059
2-(4-cyclopropylpiperazin-1-yl)benzoic acid
CID 28802166
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide
CID 16895608
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441
4-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid
CID 61441707
1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone
CID 133278302

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-6-fluorobenzoic acid?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-6-fluorobenzoic acid (CID 79515634) is 2-(4-cyclopentylpiperazin-1-yl)-6-fluorobenzoic acid.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)-6-fluorobenzoic acid?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)-6-fluorobenzoic acid is O=C(O)c1c(F)cccc1N1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)-6-fluorobenzoic acid?
The InChIKey is VPRDARATXMCXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-13-6-3-7-14(15(13)16(20)21)19-10-8-18(9-11-19)12-4-1-2-5-12/h3,6-7,12H,1-2,4-5,8-11H2,(H,20,21).
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)-6-fluorobenzoic acid?
2-(4-cyclopentylpiperazin-1-yl)-6-fluorobenzoic acid has a molecular weight of 292.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperazin-1-yl)-6-fluorobenzoic acid is sourced from PubChem (CID 79515634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).