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

C14H17FN2O2 — CID 61441707

IUPAC4-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(N2CCN(C3CC3)CC2)c(F)c1
InChIInChI=1S/C14H17FN2O2/c15-12-9-10(14(18)19)1-4-13(12)17-7-5-16(6-8-17)11-2-3-11/h1,4,9,11H,2-3,5-8H2,(H,18,19)
InChIKeyDALPWERKQJFXDU-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.81
Rot. Bonds3

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

4-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid (PubChem CID 61441707) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid
PubChem CID61441707
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name4-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(N2CCN(C3CC3)CC2)c(F)c1
InChIInChI=1S/C14H17FN2O2/c15-12-9-10(14(18)19)1-4-13(12)17-7-5-16(6-8-17)11-2-3-11/h1,4,9,11H,2-3,5-8H2,(H,18,19)
InChIKeyDALPWERKQJFXDU-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-4-pyrrolidin-1-ylbenzoic acid
CID 28604177
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-fluorobenzoic acid
CID 176582674
3-fluoro-4-(4-phenylpiperazin-1-yl)benzoic acid
CID 43826185
3-fluoro-4-(3-fluoropyrrolidin-1-yl)benzoic acid
CID 123634729
4-(4-ethylpiperazin-1-yl)-3-fluorobenzoic acid
CID 28604489
4-(4-ethoxypiperidin-1-yl)-3-fluorobenzoic acid
CID 61220908
4-[3-(dimethylamino)pyrrolidin-1-yl]-3-fluorobenzoic acid
CID 63164456
4-(4-cyclohexylpiperazin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid
CID 46285283
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone
CID 55130715
4-(3,5-dioxopiperazin-1-yl)-3-fluorobenzoic acid
CID 66083166
[4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol
CID 62369446
4-[4-[(dipropylamino)methyl]piperidin-1-yl]-3-fluorobenzoic acid
CID 156711612

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid?
The IUPAC name of 4-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid (CID 61441707) is 4-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid.
What is the SMILES notation for 4-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid?
The canonical SMILES for 4-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid is O=C(O)c1ccc(N2CCN(C3CC3)CC2)c(F)c1.
What is the InChIKey of 4-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid?
The InChIKey is DALPWERKQJFXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-12-9-10(14(18)19)1-4-13(12)17-7-5-16(6-8-17)11-2-3-11/h1,4,9,11H,2-3,5-8H2,(H,18,19).
What are the key properties of 4-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid?
4-(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 4-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid is sourced from PubChem (CID 61441707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).