1-benzyl-N-(2-cyclohexylidene-2-fluoroethyl)piperidin-4-amine

C20H29FN2 — CID 23646098

IUPAC1-benzyl-N-(2-cyclohexylidene-2-fluoroethyl)piperidin-4-amine
SMILESFC(CNC1CCN(Cc2ccccc2)CC1)=C1CCCCC1
InChIInChI=1S/C20H29FN2/c21-20(18-9-5-2-6-10-18)15-22-19-11-13-23(14-12-19)16-17-7-3-1-4-8-17/h1,3-4,7-8,19,22H,2,5-6,9-16H2
InChIKeyWTGGRHJGPDRTHU-UHFFFAOYSA-N
MW316.46 g/mol
LogP4.43
Rot. Bonds5

About 1-benzyl-N-(2-cyclohexylidene-2-fluoroethyl)piperidin-4-amine

1-benzyl-N-(2-cyclohexylidene-2-fluoroethyl)piperidin-4-amine (PubChem CID 23646098) has the molecular formula C20H29FN2 and a molecular weight of 316.46 g/mol. Its IUPAC name is 1-benzyl-N-(2-cyclohexylidene-2-fluoroethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(2-cyclohexylidene-2-fluoroethyl)piperidin-4-amine
PubChem CID23646098
Molecular FormulaC20H29FN2
Molecular Weight316.46 g/mol
Exact Mass316.23
IUPAC Name1-benzyl-N-(2-cyclohexylidene-2-fluoroethyl)piperidin-4-amine
SMILESFC(CNC1CCN(Cc2ccccc2)CC1)=C1CCCCC1
InChIInChI=1S/C20H29FN2/c21-20(18-9-5-2-6-10-18)15-22-19-11-13-23(14-12-19)16-17-7-3-1-4-8-17/h1,3-4,7-8,19,22H,2,5-6,9-16H2
InChIKeyWTGGRHJGPDRTHU-UHFFFAOYSA-N
XLogP4.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-N-(2-cyclohexylidene-2-fluoroethyl)piperidin-4-amine 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-benzyl-N-(2-cyclohexylidene-2-fluoroethyl)piperidin-4-amine?
The IUPAC name of 1-benzyl-N-(2-cyclohexylidene-2-fluoroethyl)piperidin-4-amine (CID 23646098) is 1-benzyl-N-(2-cyclohexylidene-2-fluoroethyl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-(2-cyclohexylidene-2-fluoroethyl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-(2-cyclohexylidene-2-fluoroethyl)piperidin-4-amine is FC(CNC1CCN(Cc2ccccc2)CC1)=C1CCCCC1.
What is the InChIKey of 1-benzyl-N-(2-cyclohexylidene-2-fluoroethyl)piperidin-4-amine?
The InChIKey is WTGGRHJGPDRTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2/c21-20(18-9-5-2-6-10-18)15-22-19-11-13-23(14-12-19)16-17-7-3-1-4-8-17/h1,3-4,7-8,19,22H,2,5-6,9-16H2.
What are the key properties of 1-benzyl-N-(2-cyclohexylidene-2-fluoroethyl)piperidin-4-amine?
1-benzyl-N-(2-cyclohexylidene-2-fluoroethyl)piperidin-4-amine has a molecular weight of 316.46 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-cyclohexylidene-2-fluoroethyl)piperidin-4-amine is sourced from PubChem (CID 23646098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).