2-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid

C14H17FN2O2 — CID 55101340

IUPAC2-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid
SMILESO=C(O)c1cccc(F)c1N1CCN(C2CC2)CC1
InChIInChI=1S/C14H17FN2O2/c15-12-3-1-2-11(14(18)19)13(12)17-8-6-16(7-9-17)10-4-5-10/h1-3,10H,4-9H2,(H,18,19)
InChIKeyXVKCWBLXTLDXOK-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.81
Rot. Bonds3

About 2-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid

2-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid (PubChem CID 55101340) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid
PubChem CID55101340
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name2-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid
SMILESO=C(O)c1cccc(F)c1N1CCN(C2CC2)CC1
InChIInChI=1S/C14H17FN2O2/c15-12-3-1-2-11(14(18)19)13(12)17-8-6-16(7-9-17)10-4-5-10/h1-3,10H,4-9H2,(H,18,19)
InChIKeyXVKCWBLXTLDXOK-UHFFFAOYSA-N
XLogP1.81
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-piperidin-1-ylbenzoic acid
CID 62649816
2-(4-cyclopropylpiperazin-1-yl)benzoic acid
CID 28802166
2-[3-(dimethylamino)pyrrolidin-1-yl]-3-fluorobenzoic acid
CID 63537032
2-(4-cyclopentylpiperazin-1-yl)-6-fluorobenzoic acid
CID 79515634
3-fluoro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzoic acid
CID 62649639
1-[3-fluoro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanone
CID 114058496
2-(3-acetamidopyrrolidin-1-yl)-3-fluorobenzoic acid
CID 113402378
1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691543
[4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113081228
cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081215
3-(4-cyclopropylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-one
CID 62645116
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid?
The IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid (CID 55101340) is 2-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid.
What is the SMILES notation for 2-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid?
The canonical SMILES for 2-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid is O=C(O)c1cccc(F)c1N1CCN(C2CC2)CC1.
What is the InChIKey of 2-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid?
The InChIKey is XVKCWBLXTLDXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-12-3-1-2-11(14(18)19)13(12)17-8-6-16(7-9-17)10-4-5-10/h1-3,10H,4-9H2,(H,18,19).
What are the key properties of 2-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid?
2-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid has a molecular weight of 264.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid is sourced from PubChem (CID 55101340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).