2-[4-(4-fluorophenyl)piperazin-1-yl]cyclopropane-1-carboxylic acid

C14H17FN2O2 — CID 117038249

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FN2O2/c15-10-1-3-11(4-2-10)16-5-7-17(8-6-16)13-9-12(13)14(18)19/h1-4,12-13H,5-9H2,(H,18,19)
InChIKeyWFHMMUDWKNGDKD-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.42
Rot. Bonds3

About 2-[4-(4-fluorophenyl)piperazin-1-yl]cyclopropane-1-carboxylic acid

2-[4-(4-fluorophenyl)piperazin-1-yl]cyclopropane-1-carboxylic acid (PubChem CID 117038249) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]cyclopropane-1-carboxylic acid
PubChem CID117038249
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FN2O2/c15-10-1-3-11(4-2-10)16-5-7-17(8-6-16)13-9-12(13)14(18)19/h1-4,12-13H,5-9H2,(H,18,19)
InChIKeyWFHMMUDWKNGDKD-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,6S)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 690857
cis-(1R,2S)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 873866
trans-(1S,2S)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 873868
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 2886463
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 94525636
(1R,2S,3S,4R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 18557508
6-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylate
CID 4739648
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-[4-(4-fluorophenyl)piperazin-1-yl]-3,3-dimethylpentane-1,5-dione
CID 7318891
1-N-(4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109142764
3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid
CID 63069456
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]cyclopropane-1-carboxylic acid (CID 117038249) is 2-[4-(4-fluorophenyl)piperazin-1-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]cyclopropane-1-carboxylic acid?
The InChIKey is WFHMMUDWKNGDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-10-1-3-11(4-2-10)16-5-7-17(8-6-16)13-9-12(13)14(18)19/h1-4,12-13H,5-9H2,(H,18,19).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]cyclopropane-1-carboxylic acid?
2-[4-(4-fluorophenyl)piperazin-1-yl]cyclopropane-1-carboxylic acid has a molecular weight of 264.30 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117038249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).