Basic information
- CAS
497061-34-4- Standard SMILES
O=C(O)C1CCCCC1C(=O)N1CCN(c2ccccc2F)CC1- InChIKey
JSOUCVOVUJICNR-UHFFFAOYSA-N- Molecular formula
- C18H23FN2O3
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.16927076
Names & identifiers
- Preferred name
- 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic Acid
- IUPAC
- 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
- English name
- 2-((4-(2-Fluorophenyl)piperazinyl)carbonyl)cyclohexanecarboxylic acid
- Molecular formula
- C18H23FN2O3
- Molecular weight
- 334.39
Names & synonyms
497061-34-42-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic AcidMFCD018596132-((4-(2-FLUOROPHENYL)PIPERAZINYL)CARBONYL)CYCLOHEXANECARBOXYLIC ACID2-(4-(2-Fluorophenyl)piperazine-1-carbonyl)cyclohexane-1-carboxylic acid2-{[4-(2-fluorophenyl)piperazinyl]carbonyl}cyclohexanecarboxylic acidOprea1_082404DTXSID001150749SBB061931AKOS022169509MS-8009FF168924
Show more names
Cyclohexanecarboxylic acid, 2-[[4-(2-fluorophenyl)-1-piperazinyl]carbonyl]-
CS-0364528F7551332-[[4-(2-Fluorophenyl)-1-piperazinyl]carbonyl]cyclohexanecarboxylic acid2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclohexanecarboxylic acid
Database identifiers
- CAS
497061-34-4- PubChem CID
- 3594064
- DTXSID
DTXSID001150749
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 465
Physicochemical properties
- Boiling point
- 546.6 · 546.6±50.0 °C(Predicted)
- Density
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- pka
- 4.79 · 4.79±0.28(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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