1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine

C16H24FN — CID 59848743

IUPAC1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine
SMILESCC(C)(C)CN1CCCC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H24FN/c1-16(2,3)12-18-10-4-5-14(11-18)13-6-8-15(17)9-7-13/h6-9,14H,4-5,10-12H2,1-3H3
InChIKeyOIJUQNNIRWRVDN-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.05
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine

1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine (PubChem CID 59848743) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine
PubChem CID59848743
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine
SMILESCC(C)(C)CN1CCCC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H24FN/c1-16(2,3)12-18-10-4-5-14(11-18)13-6-8-15(17)9-7-13/h6-9,14H,4-5,10-12H2,1-3H3
InChIKeyOIJUQNNIRWRVDN-UHFFFAOYSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)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 1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine (CID 59848743) is 1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine is CC(C)(C)CN1CCCC(c2ccc(F)cc2)C1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine?
The InChIKey is OIJUQNNIRWRVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-16(2,3)12-18-10-4-5-14(11-18)13-6-8-15(17)9-7-13/h6-9,14H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine?
1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine has a molecular weight of 249.37 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-(4-fluorophenyl)piperidine is sourced from PubChem (CID 59848743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).