4-(4-bromophenyl)-1-[4-(4-fluorophenyl)butyl]piperidine

C21H25BrFN — CID 165176679

IUPAC4-(4-bromophenyl)-1-[4-(4-fluorophenyl)butyl]piperidine
SMILESFc1ccc(CCCCN2CCC(c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C21H25BrFN/c22-20-8-6-18(7-9-20)19-12-15-24(16-13-19)14-2-1-3-17-4-10-21(23)11-5-17/h4-11,19H,1-3,12-16H2
InChIKeyOVJQUYCXTRNPTE-UHFFFAOYSA-N
MW390.34 g/mol
LogP5.79
Rot. Bonds6

About 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)butyl]piperidine

4-(4-bromophenyl)-1-[4-(4-fluorophenyl)butyl]piperidine (PubChem CID 165176679) has the molecular formula C21H25BrFN and a molecular weight of 390.34 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)butyl]piperidine.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-[4-(4-fluorophenyl)butyl]piperidine
PubChem CID165176679
Molecular FormulaC21H25BrFN
Molecular Weight390.34 g/mol
Exact Mass389.12
IUPAC Name4-(4-bromophenyl)-1-[4-(4-fluorophenyl)butyl]piperidine
SMILESFc1ccc(CCCCN2CCC(c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C21H25BrFN/c22-20-8-6-18(7-9-20)19-12-15-24(16-13-19)14-2-1-3-17-4-10-21(23)11-5-17/h4-11,19H,1-3,12-16H2
InChIKeyOVJQUYCXTRNPTE-UHFFFAOYSA-N
XLogP5.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.34
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)butyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-3-(3-Bromo-phenyl)-1-propyl-piperidine
CID 10356389
Piperidine, 4-((4-bromophenyl)phenylmethylene)-1-methyl-, hydrochloride
CID 3076342
4-Benzyl-1-(2-bromobenzyl)piperidine
CID 791158
4-(4-Fluoro-benzyl)-1-(4-phenyl-butyl)-piperidine
CID 10404071
4-(3-Bromo-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-piperidine
CID 23343659
4-[(E)-2-(4-bromophenyl)ethenyl]-1-prop-2-ynylpiperidine
CID 134385635
4-(4-Fluoro-benzyl)-1-phenethyl-piperidine
CID 10017543
1-[4,4-Bis(4-fluorophenyl)butyl]piperidine
CID 3040199
4-(4-Fluorophenyl)-1-[4-(4-fluorophenyl)butyl]piperidine
CID 44364130
4-(4-Fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidine
CID 44364418
Piperidine, 1-(4,4-bis(4-fluorophenyl)butyl)-, hydrochloride
CID 3040198
4-(4-Bromophenyl)piperidine
CID 2757159

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)butyl]piperidine?
The IUPAC name of 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)butyl]piperidine (CID 165176679) is 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)butyl]piperidine.
What is the SMILES notation for 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)butyl]piperidine?
The canonical SMILES for 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)butyl]piperidine is Fc1ccc(CCCCN2CCC(c3ccc(Br)cc3)CC2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)butyl]piperidine?
The InChIKey is OVJQUYCXTRNPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrFN/c22-20-8-6-18(7-9-20)19-12-15-24(16-13-19)14-2-1-3-17-4-10-21(23)11-5-17/h4-11,19H,1-3,12-16H2.
What are the key properties of 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)butyl]piperidine?
4-(4-bromophenyl)-1-[4-(4-fluorophenyl)butyl]piperidine has a molecular weight of 390.34 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)butyl]piperidine is sourced from PubChem (CID 165176679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).