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

C20H30FNO — CID 174360076

IUPAC1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine
SMILESCC1CCCCN1C1CCC(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C20H30FNO/c1-16-4-2-3-14-22(16)19-9-5-17(6-10-19)13-15-23-20-11-7-18(21)8-12-20/h7-8,11-12,16-17,19H,2-6,9-10,13-15H2,1H3
InChIKeyMDKISBYSZVZUBD-UHFFFAOYSA-N
MW319.46 g/mol
LogP5.03
Rot. Bonds5

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

1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine (PubChem CID 174360076) has the molecular formula C20H30FNO and a molecular weight of 319.46 g/mol. Its IUPAC name is 1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine.

Molecular Properties

Compound Name1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine
PubChem CID174360076
Molecular FormulaC20H30FNO
Molecular Weight319.46 g/mol
Exact Mass319.23
IUPAC Name1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine
SMILESCC1CCCCN1C1CCC(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C20H30FNO/c1-16-4-2-3-14-22(16)19-9-5-17(6-10-19)13-15-23-20-11-7-18(21)8-12-20/h7-8,11-12,16-17,19H,2-6,9-10,13-15H2,1H3
InChIKeyMDKISBYSZVZUBD-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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine?
The IUPAC name of 1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine (CID 174360076) is 1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine.
What is the SMILES notation for 1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine?
The canonical SMILES for 1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine is CC1CCCCN1C1CCC(CCOc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine?
The InChIKey is MDKISBYSZVZUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FNO/c1-16-4-2-3-14-22(16)19-9-5-17(6-10-19)13-15-23-20-11-7-18(21)8-12-20/h7-8,11-12,16-17,19H,2-6,9-10,13-15H2,1H3.
What are the key properties of 1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine?
1-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-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-[4-[2-(4-fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine is sourced from PubChem (CID 174360076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).