4-[(4-bromophenyl)-(4-fluorophenyl)methylidene]piperidine

C18H17BrFN — CID 23326068

IUPAC4-[(4-bromophenyl)-(4-fluorophenyl)methylidene]piperidine
SMILESFc1ccc(C(=C2CCNCC2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H17BrFN/c19-16-5-1-13(2-6-16)18(15-9-11-21-12-10-15)14-3-7-17(20)8-4-14/h1-8,21H,9-12H2
InChIKeyZVMQTDHOCRMQOF-UHFFFAOYSA-N
MW346.24 g/mol
LogP4.77
Rot. Bonds2

About 4-[(4-bromophenyl)-(4-fluorophenyl)methylidene]piperidine

4-[(4-bromophenyl)-(4-fluorophenyl)methylidene]piperidine (PubChem CID 23326068) has the molecular formula C18H17BrFN and a molecular weight of 346.24 g/mol. Its IUPAC name is 4-[(4-bromophenyl)-(4-fluorophenyl)methylidene]piperidine.

Molecular Properties

Compound Name4-[(4-bromophenyl)-(4-fluorophenyl)methylidene]piperidine
PubChem CID23326068
Molecular FormulaC18H17BrFN
Molecular Weight346.24 g/mol
Exact Mass345.05
IUPAC Name4-[(4-bromophenyl)-(4-fluorophenyl)methylidene]piperidine
SMILESFc1ccc(C(=C2CCNCC2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H17BrFN/c19-16-5-1-13(2-6-16)18(15-9-11-21-12-10-15)14-3-7-17(20)8-4-14/h1-8,21H,9-12H2
InChIKeyZVMQTDHOCRMQOF-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)-(4-fluorophenyl)methylidene]piperidine?
The IUPAC name of 4-[(4-bromophenyl)-(4-fluorophenyl)methylidene]piperidine (CID 23326068) is 4-[(4-bromophenyl)-(4-fluorophenyl)methylidene]piperidine.
What is the SMILES notation for 4-[(4-bromophenyl)-(4-fluorophenyl)methylidene]piperidine?
The canonical SMILES for 4-[(4-bromophenyl)-(4-fluorophenyl)methylidene]piperidine is Fc1ccc(C(=C2CCNCC2)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(4-bromophenyl)-(4-fluorophenyl)methylidene]piperidine?
The InChIKey is ZVMQTDHOCRMQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFN/c19-16-5-1-13(2-6-16)18(15-9-11-21-12-10-15)14-3-7-17(20)8-4-14/h1-8,21H,9-12H2.
What are the key properties of 4-[(4-bromophenyl)-(4-fluorophenyl)methylidene]piperidine?
4-[(4-bromophenyl)-(4-fluorophenyl)methylidene]piperidine has a molecular weight of 346.24 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)-(4-fluorophenyl)methylidene]piperidine is sourced from PubChem (CID 23326068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).