4-(Bis(4-fluorophenyl)methylene)piperidine

HCID 2724436CAS 58113-36-3
Substructure searchFind similar structures

Basic information

Standard SMILES
Fc1ccc(C(=C2CCNCC2)c2ccc(F)cc2)cc1
InChIKey
KNNQGZBGAQFPCY-UHFFFAOYSA-N
Molecular formula
C18H17F2N
Average molar mass
285.3 g/mol
Monoisotopic mass
285.13290587

Names & identifiers

Preferred name
4-(Bis(4-fluorophenyl)methylene)piperidine
IUPAC
4-[bis(4-fluorophenyl)methylidene]piperidine
English name
4-[BIS-(4-FLUOROPHENYL)METHYLENE]PIPERIDINE
Molecular formula
C18H17F2N
Molecular weight
285.33

Names & synonyms

4-(Bis(4-fluorophenyl)methylene)piperidine58113-36-34-[bis(4-fluorophenyl)methylidene]piperidineMFCD131927254-[bis(4-fluorophenyl)methylene]piperidineC18H17F2N4-(bis(4-fluorophenyl)-methylene)piperidine4-[bis(4-fluorophenyl)-methylene]piperidineMFCD24369742Piperidine, 4-[bis(4-fluorophenyl)methylene]-RITANSERIN_met013SCHEMBL2539292
Show more names
4-[BIS-(4-FLUOROPHENYL)METHYLENE]PIPERIDINE4-[Bis-(4-fluorophenyl)methylene]piperidine hydrochloride
SCHEMBL5200726DTXSID10369130KNNQGZBGAQFPCY-UHFFFAOYSA-NAKOS016011302DS-6244SB43201SY2408914-[bis(4-flurophenyl)methylene]piperidine

Database identifiers

CAS
58113-36-3
PubChem CID
2724436
DTXSID
DTXSID10369130
Nikkaji
J1.022.349K

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
12 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
21

Experimental & physicochemical properties

Collision Cross Section173.11 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physicochemical properties

Boiling point
404.4 · 404.4±40.0 °C(Predicted)
Density
1.163 · 1.163±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C(protect from light)
pka
10.47 · 10.47±0.20(Predicted)
HS Code
2933399990 · 2933399990

Safety & regulation

Safety data

hs_code
2933399990

Chemistry & industry

Suppliers16 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
泰州葛林美克医药科技有限公司15366892466
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

Related reactions

35 records
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Linked notes

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