4-benzyl-1-[(3-fluorophenyl)methyl]piperidine

C19H22FN — CID 792536

IUPAC4-benzyl-1-[(3-fluorophenyl)methyl]piperidine
SMILESFc1cccc(CN2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C19H22FN/c20-19-8-4-7-18(14-19)15-21-11-9-17(10-12-21)13-16-5-2-1-3-6-16/h1-8,14,17H,9-13,15H2
InChIKeyFQGUZNOAMKHGFE-UHFFFAOYSA-N
MW283.39 g/mol
LogP4.28
Rot. Bonds4

About 4-benzyl-1-[(3-fluorophenyl)methyl]piperidine

4-benzyl-1-[(3-fluorophenyl)methyl]piperidine (PubChem CID 792536) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-benzyl-1-[(3-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[(3-fluorophenyl)methyl]piperidine
PubChem CID792536
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC Name4-benzyl-1-[(3-fluorophenyl)methyl]piperidine
SMILESFc1cccc(CN2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C19H22FN/c20-19-8-4-7-18(14-19)15-21-11-9-17(10-12-21)13-16-5-2-1-3-6-16/h1-8,14,17H,9-13,15H2
InChIKeyFQGUZNOAMKHGFE-UHFFFAOYSA-N
XLogP4.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-benzyl-1-[(3-fluorophenyl)methyl]piperidine 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 4-benzyl-1-[(3-fluorophenyl)methyl]piperidine?
The IUPAC name of 4-benzyl-1-[(3-fluorophenyl)methyl]piperidine (CID 792536) is 4-benzyl-1-[(3-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[(3-fluorophenyl)methyl]piperidine?
The canonical SMILES for 4-benzyl-1-[(3-fluorophenyl)methyl]piperidine is Fc1cccc(CN2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 4-benzyl-1-[(3-fluorophenyl)methyl]piperidine?
The InChIKey is FQGUZNOAMKHGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c20-19-8-4-7-18(14-19)15-21-11-9-17(10-12-21)13-16-5-2-1-3-6-16/h1-8,14,17H,9-13,15H2.
What are the key properties of 4-benzyl-1-[(3-fluorophenyl)methyl]piperidine?
4-benzyl-1-[(3-fluorophenyl)methyl]piperidine has a molecular weight of 283.39 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(3-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 792536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).