4-(4-chlorophenoxy)-1-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-4-methylpiperidine

C21H25ClFNO3 — CID 121418386

IUPAC4-(4-chlorophenoxy)-1-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-4-methylpiperidine
SMILESCOc1ccc(F)cc1OCCN1CCC(C)(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClFNO3/c1-21(27-18-6-3-16(22)4-7-18)9-11-24(12-10-21)13-14-26-20-15-17(23)5-8-19(20)25-2/h3-8,15H,9-14H2,1-2H3
InChIKeySLHMFRSOAYRAIB-UHFFFAOYSA-N
MW393.89 g/mol
LogP4.80
Rot. Bonds7

About 4-(4-chlorophenoxy)-1-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-4-methylpiperidine

4-(4-chlorophenoxy)-1-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-4-methylpiperidine (PubChem CID 121418386) has the molecular formula C21H25ClFNO3 and a molecular weight of 393.89 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-1-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-4-methylpiperidine.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-1-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-4-methylpiperidine
PubChem CID121418386
Molecular FormulaC21H25ClFNO3
Molecular Weight393.89 g/mol
Exact Mass393.15
IUPAC Name4-(4-chlorophenoxy)-1-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-4-methylpiperidine
SMILESCOc1ccc(F)cc1OCCN1CCC(C)(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClFNO3/c1-21(27-18-6-3-16(22)4-7-18)9-11-24(12-10-21)13-14-26-20-15-17(23)5-8-19(20)25-2/h3-8,15H,9-14H2,1-2H3
InChIKeySLHMFRSOAYRAIB-UHFFFAOYSA-N
XLogP4.80
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-1-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-4-methylpiperidine?
The IUPAC name of 4-(4-chlorophenoxy)-1-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-4-methylpiperidine (CID 121418386) is 4-(4-chlorophenoxy)-1-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-4-methylpiperidine.
What is the SMILES notation for 4-(4-chlorophenoxy)-1-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-4-methylpiperidine?
The canonical SMILES for 4-(4-chlorophenoxy)-1-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-4-methylpiperidine is COc1ccc(F)cc1OCCN1CCC(C)(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenoxy)-1-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-4-methylpiperidine?
The InChIKey is SLHMFRSOAYRAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFNO3/c1-21(27-18-6-3-16(22)4-7-18)9-11-24(12-10-21)13-14-26-20-15-17(23)5-8-19(20)25-2/h3-8,15H,9-14H2,1-2H3.
What are the key properties of 4-(4-chlorophenoxy)-1-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-4-methylpiperidine?
4-(4-chlorophenoxy)-1-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-4-methylpiperidine has a molecular weight of 393.89 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-1-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-4-methylpiperidine is sourced from PubChem (CID 121418386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).