1-[4,4-bis(4-fluorophenyl)butyl]piperidine;hydrochloride

C21H26ClF2N — CID 3040198

IUPAC1-[4,4-bis(4-fluorophenyl)butyl]piperidine;hydrochloride
SMILESCl.Fc1ccc(C(CCCN2CCCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H25F2N.ClH/c22-19-10-6-17(7-11-19)21(18-8-12-20(23)13-9-18)5-4-16-24-14-2-1-3-15-24;/h6-13,21H,1-5,14-16H2;1H
InChIKeyBYVFJGUGPOFWMM-UHFFFAOYSA-N
MW365.90 g/mol
LogP5.78
Rot. Bonds6

About 1-[4,4-bis(4-fluorophenyl)butyl]piperidine;hydrochloride

1-[4,4-bis(4-fluorophenyl)butyl]piperidine;hydrochloride (PubChem CID 3040198) has the molecular formula C21H26ClF2N and a molecular weight of 365.90 g/mol. Its IUPAC name is 1-[4,4-bis(4-fluorophenyl)butyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[4,4-bis(4-fluorophenyl)butyl]piperidine;hydrochloride
PubChem CID3040198
Molecular FormulaC21H26ClF2N
Molecular Weight365.90 g/mol
Exact Mass365.17
IUPAC Name1-[4,4-bis(4-fluorophenyl)butyl]piperidine;hydrochloride
SMILESCl.Fc1ccc(C(CCCN2CCCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H25F2N.ClH/c22-19-10-6-17(7-11-19)21(18-8-12-20(23)13-9-18)5-4-16-24-14-2-1-3-15-24;/h6-13,21H,1-5,14-16H2;1H
InChIKeyBYVFJGUGPOFWMM-UHFFFAOYSA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.90
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[4,4-bis(4-fluorophenyl)butyl]piperidine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]piperidine;hydrochloride?
The IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]piperidine;hydrochloride (CID 3040198) is 1-[4,4-bis(4-fluorophenyl)butyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[4,4-bis(4-fluorophenyl)butyl]piperidine;hydrochloride?
The canonical SMILES for 1-[4,4-bis(4-fluorophenyl)butyl]piperidine;hydrochloride is Cl.Fc1ccc(C(CCCN2CCCCC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4,4-bis(4-fluorophenyl)butyl]piperidine;hydrochloride?
The InChIKey is BYVFJGUGPOFWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N.ClH/c22-19-10-6-17(7-11-19)21(18-8-12-20(23)13-9-18)5-4-16-24-14-2-1-3-15-24;/h6-13,21H,1-5,14-16H2;1H.
What are the key properties of 1-[4,4-bis(4-fluorophenyl)butyl]piperidine;hydrochloride?
1-[4,4-bis(4-fluorophenyl)butyl]piperidine;hydrochloride has a molecular weight of 365.90 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-bis(4-fluorophenyl)butyl]piperidine;hydrochloride is sourced from PubChem (CID 3040198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).