4-[2-fluoro-4-(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine

C24H39FN2 — CID 118102478

IUPAC4-[2-fluoro-4-(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(c2ccc(C3CC(C)(C)NC(C)(C)C3)c(F)c2)CC(C)(C)N1
InChIInChI=1S/C24H39FN2/c1-21(2)12-17(13-22(3,4)26-21)16-9-10-19(20(25)11-16)18-14-23(5,6)27-24(7,8)15-18/h9-11,17-18,26-27H,12-15H2,1-8H3
InChIKeyJDYMIKZQGOEFQH-UHFFFAOYSA-N
MW374.59 g/mol
LogP5.87
Rot. Bonds2

About 4-[2-fluoro-4-(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine

4-[2-fluoro-4-(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine (PubChem CID 118102478) has the molecular formula C24H39FN2 and a molecular weight of 374.59 g/mol. Its IUPAC name is 4-[2-fluoro-4-(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[2-fluoro-4-(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine
PubChem CID118102478
Molecular FormulaC24H39FN2
Molecular Weight374.59 g/mol
Exact Mass374.31
IUPAC Name4-[2-fluoro-4-(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(c2ccc(C3CC(C)(C)NC(C)(C)C3)c(F)c2)CC(C)(C)N1
InChIInChI=1S/C24H39FN2/c1-21(2)12-17(13-22(3,4)26-21)16-9-10-19(20(25)11-16)18-14-23(5,6)27-24(7,8)15-18/h9-11,17-18,26-27H,12-15H2,1-8H3
InChIKeyJDYMIKZQGOEFQH-UHFFFAOYSA-N
XLogP5.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.59
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[2-fluoro-4-(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine 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-[2-fluoro-4-(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[2-fluoro-4-(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine (CID 118102478) is 4-[2-fluoro-4-(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[2-fluoro-4-(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[2-fluoro-4-(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine is CC1(C)CC(c2ccc(C3CC(C)(C)NC(C)(C)C3)c(F)c2)CC(C)(C)N1.
What is the InChIKey of 4-[2-fluoro-4-(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine?
The InChIKey is JDYMIKZQGOEFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39FN2/c1-21(2)12-17(13-22(3,4)26-21)16-9-10-19(20(25)11-16)18-14-23(5,6)27-24(7,8)15-18/h9-11,17-18,26-27H,12-15H2,1-8H3.
What are the key properties of 4-[2-fluoro-4-(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine?
4-[2-fluoro-4-(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine has a molecular weight of 374.59 g/mol, XLogP of 5.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 118102478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).