1-cyclohexyl-4-[2-(4-fluorophenoxy)ethyl]-2-methylpiperidine

C20H30FNO — CID 174360074

IUPAC1-cyclohexyl-4-[2-(4-fluorophenoxy)ethyl]-2-methylpiperidine
SMILESCC1CC(CCOc2ccc(F)cc2)CCN1C1CCCCC1
InChIInChI=1S/C20H30FNO/c1-16-15-17(11-13-22(16)19-5-3-2-4-6-19)12-14-23-20-9-7-18(21)8-10-20/h7-10,16-17,19H,2-6,11-15H2,1H3
InChIKeyVGYQABRHRXIQMV-UHFFFAOYSA-N
MW319.46 g/mol
LogP5.03
Rot. Bonds5

About 1-cyclohexyl-4-[2-(4-fluorophenoxy)ethyl]-2-methylpiperidine

1-cyclohexyl-4-[2-(4-fluorophenoxy)ethyl]-2-methylpiperidine (PubChem CID 174360074) has the molecular formula C20H30FNO and a molecular weight of 319.46 g/mol. Its IUPAC name is 1-cyclohexyl-4-[2-(4-fluorophenoxy)ethyl]-2-methylpiperidine.

Molecular Properties

Compound Name1-cyclohexyl-4-[2-(4-fluorophenoxy)ethyl]-2-methylpiperidine
PubChem CID174360074
Molecular FormulaC20H30FNO
Molecular Weight319.46 g/mol
Exact Mass319.23
IUPAC Name1-cyclohexyl-4-[2-(4-fluorophenoxy)ethyl]-2-methylpiperidine
SMILESCC1CC(CCOc2ccc(F)cc2)CCN1C1CCCCC1
InChIInChI=1S/C20H30FNO/c1-16-15-17(11-13-22(16)19-5-3-2-4-6-19)12-14-23-20-9-7-18(21)8-10-20/h7-10,16-17,19H,2-6,11-15H2,1H3
InChIKeyVGYQABRHRXIQMV-UHFFFAOYSA-N
XLogP5.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.46
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-4-[2-(4-fluorophenoxy)ethyl]-2-methylpiperidine 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-cyclohexyl-4-[2-(4-fluorophenoxy)ethyl]-2-methylpiperidine?
The IUPAC name of 1-cyclohexyl-4-[2-(4-fluorophenoxy)ethyl]-2-methylpiperidine (CID 174360074) is 1-cyclohexyl-4-[2-(4-fluorophenoxy)ethyl]-2-methylpiperidine.
What is the SMILES notation for 1-cyclohexyl-4-[2-(4-fluorophenoxy)ethyl]-2-methylpiperidine?
The canonical SMILES for 1-cyclohexyl-4-[2-(4-fluorophenoxy)ethyl]-2-methylpiperidine is CC1CC(CCOc2ccc(F)cc2)CCN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-[2-(4-fluorophenoxy)ethyl]-2-methylpiperidine?
The InChIKey is VGYQABRHRXIQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FNO/c1-16-15-17(11-13-22(16)19-5-3-2-4-6-19)12-14-23-20-9-7-18(21)8-10-20/h7-10,16-17,19H,2-6,11-15H2,1H3.
What are the key properties of 1-cyclohexyl-4-[2-(4-fluorophenoxy)ethyl]-2-methylpiperidine?
1-cyclohexyl-4-[2-(4-fluorophenoxy)ethyl]-2-methylpiperidine has a molecular weight of 319.46 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[2-(4-fluorophenoxy)ethyl]-2-methylpiperidine is sourced from PubChem (CID 174360074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).