4-[bis(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine

C28H31F2N — CID 15093875

IUPAC4-[bis(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine
SMILESFc1ccc(C(c2ccc(F)cc2)C2CCN(CCCCc3ccccc3)CC2)cc1
InChIInChI=1S/C28H31F2N/c29-26-13-9-23(10-14-26)28(24-11-15-27(30)16-12-24)25-17-20-31(21-18-25)19-5-4-8-22-6-2-1-3-7-22/h1-3,6-7,9-16,25,28H,4-5,8,17-21H2
InChIKeyHHPMFVTUNXSUNF-UHFFFAOYSA-N
MW419.56 g/mol
LogP6.83
Rot. Bonds8

About 4-[bis(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine

4-[bis(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine (PubChem CID 15093875) has the molecular formula C28H31F2N and a molecular weight of 419.56 g/mol. Its IUPAC name is 4-[bis(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine.

Molecular Properties

Compound Name4-[bis(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine
PubChem CID15093875
Molecular FormulaC28H31F2N
Molecular Weight419.56 g/mol
Exact Mass419.24
IUPAC Name4-[bis(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine
SMILESFc1ccc(C(c2ccc(F)cc2)C2CCN(CCCCc3ccccc3)CC2)cc1
InChIInChI=1S/C28H31F2N/c29-26-13-9-23(10-14-26)28(24-11-15-27(30)16-12-24)25-17-20-31(21-18-25)19-5-4-8-22-6-2-1-3-7-22/h1-3,6-7,9-16,25,28H,4-5,8,17-21H2
InChIKeyHHPMFVTUNXSUNF-UHFFFAOYSA-N
XLogP6.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.56
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[bis(4-fluorophenyl)methyl]-1-(4-phenylbutyl)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

Cyproheptadine
CID 2913
Cyproheptadine Hydrochloride
CID 13770
Flunarizine
CID 941361
Budipine
CID 68778
Flunarizine Hydrochloride
CID 5282407
Fenpiprane
CID 197785
Diphemanil
CID 6127
4-Benzhydrylpiperidine
CID 88278
Paliroden
CID 11567682
Prodipine
CID 65775
3,3-diphenyl-N-dimethylpropylamine
CID 151221
Piperidine, 1-(3,3-diphenylallyl)-
CID 202718

Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine?
The IUPAC name of 4-[bis(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine (CID 15093875) is 4-[bis(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine.
What is the SMILES notation for 4-[bis(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine?
The canonical SMILES for 4-[bis(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine is Fc1ccc(C(c2ccc(F)cc2)C2CCN(CCCCc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[bis(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine?
The InChIKey is HHPMFVTUNXSUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F2N/c29-26-13-9-23(10-14-26)28(24-11-15-27(30)16-12-24)25-17-20-31(21-18-25)19-5-4-8-22-6-2-1-3-7-22/h1-3,6-7,9-16,25,28H,4-5,8,17-21H2.
What are the key properties of 4-[bis(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine?
4-[bis(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine has a molecular weight of 419.56 g/mol, XLogP of 6.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine is sourced from PubChem (CID 15093875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).