Basic information
- CAS
89156-99-0- Standard SMILES
Fc1cccc(C2(N3CCCCC3)CCCCC2)c1- InChIKey
PFPLGKFWWBXTNP-UHFFFAOYSA-N- Molecular formula
- C17H24FN
- Average molar mass
- 261.38 g/mol
- Monoisotopic mass
- 261.18927793
Names & identifiers
- Preferred name
- 3-Fluoro-PCP
- IUPAC
- 1-[1-(3-fluorophenyl)cyclohexyl]piperidine
- English name
- Piperidine, 1-[1-(3-fluorophenyl)cyclohexyl]-
- Molecular formula
- C17H24FN
- Molecular weight
- 261.38
Names & synonyms
3-Fluoro-pcpYXB2T59KED1-[1-(3-fluorophenyl)cyclohexyl]piperidinePiperidine, 1-(1-(3-fluorophenyl)cyclohexyl)-1-(1-(3-Fluorophenyl)cyclohexyl)piperidineDTXSID90327970Piperidine, 1-[1-(3-fluorophenyl)cyclohexyl]-RefChem:198284DTXCID9027908189156-99-0UNII-YXB2T59KED3-Fl-PCP
Show more names
PD130770
Database identifiers
- CAS
89156-99-0- PubChem CID
- 398433
- DTXSID
DTXSID90327970- UNII
- YXB2T59KED
- Nikkaji
- J562.926H
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 279
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Depressants and Tranquilizers
Physicochemical properties
- Boiling point
- 344 · 344.0±25.0 °C(Predicted)
- Density
- 1.069 · 1.069±0.06 g/cm3(Predicted)
- pka
- 7.81 · 7.81±0.20(Predicted)
- InChI
- InChI=1S/C17H24FN/c18-16-9-7-8-15(14-16)17(10-3-1-4-11-17)19-12-5-2-6-13-19/h7-9,14H,1-6,10-13H2
- InChIKey
- PFPLGKFWWBXTNP-UHFFFAOYSA-N
- SMILES
- N1(C2(C3=CC=CC(F)=C3)CCCCC2)CCCCC1
- FDA UNII
- 2 T59KED · YXB2T59KED
Chemistry & industry
Suppliers1 total
北京科易通达科技发展有限公司17743531240 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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