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

C20H23ClFNO2 — CID 121418343

IUPAC4-(4-chlorophenoxy)-1-[2-(2-fluorophenoxy)ethyl]-4-methylpiperidine
SMILESCC1(Oc2ccc(Cl)cc2)CCN(CCOc2ccccc2F)CC1
InChIInChI=1S/C20H23ClFNO2/c1-20(25-17-8-6-16(21)7-9-17)10-12-23(13-11-20)14-15-24-19-5-3-2-4-18(19)22/h2-9H,10-15H2,1H3
InChIKeySBNYLWSWKVFDGI-UHFFFAOYSA-N
MW363.86 g/mol
LogP4.79
Rot. Bonds6

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

4-(4-chlorophenoxy)-1-[2-(2-fluorophenoxy)ethyl]-4-methylpiperidine (PubChem CID 121418343) has the molecular formula C20H23ClFNO2 and a molecular weight of 363.86 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-1-[2-(2-fluorophenoxy)ethyl]-4-methylpiperidine.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-1-[2-(2-fluorophenoxy)ethyl]-4-methylpiperidine
PubChem CID121418343
Molecular FormulaC20H23ClFNO2
Molecular Weight363.86 g/mol
Exact Mass363.14
IUPAC Name4-(4-chlorophenoxy)-1-[2-(2-fluorophenoxy)ethyl]-4-methylpiperidine
SMILESCC1(Oc2ccc(Cl)cc2)CCN(CCOc2ccccc2F)CC1
InChIInChI=1S/C20H23ClFNO2/c1-20(25-17-8-6-16(21)7-9-17)10-12-23(13-11-20)14-15-24-19-5-3-2-4-18(19)22/h2-9H,10-15H2,1H3
InChIKeySBNYLWSWKVFDGI-UHFFFAOYSA-N
XLogP4.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.86
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-1-[2-(2-fluorophenoxy)ethyl]-4-methylpiperidine?
The IUPAC name of 4-(4-chlorophenoxy)-1-[2-(2-fluorophenoxy)ethyl]-4-methylpiperidine (CID 121418343) is 4-(4-chlorophenoxy)-1-[2-(2-fluorophenoxy)ethyl]-4-methylpiperidine.
What is the SMILES notation for 4-(4-chlorophenoxy)-1-[2-(2-fluorophenoxy)ethyl]-4-methylpiperidine?
The canonical SMILES for 4-(4-chlorophenoxy)-1-[2-(2-fluorophenoxy)ethyl]-4-methylpiperidine is CC1(Oc2ccc(Cl)cc2)CCN(CCOc2ccccc2F)CC1.
What is the InChIKey of 4-(4-chlorophenoxy)-1-[2-(2-fluorophenoxy)ethyl]-4-methylpiperidine?
The InChIKey is SBNYLWSWKVFDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFNO2/c1-20(25-17-8-6-16(21)7-9-17)10-12-23(13-11-20)14-15-24-19-5-3-2-4-18(19)22/h2-9H,10-15H2,1H3.
What are the key properties of 4-(4-chlorophenoxy)-1-[2-(2-fluorophenoxy)ethyl]-4-methylpiperidine?
4-(4-chlorophenoxy)-1-[2-(2-fluorophenoxy)ethyl]-4-methylpiperidine has a molecular weight of 363.86 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-1-[2-(2-fluorophenoxy)ethyl]-4-methylpiperidine is sourced from PubChem (CID 121418343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).