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

C20H23ClFNO2 — CID 121418729

IUPAC4-(2-chlorophenoxy)-1-[2-(4-fluorophenoxy)ethyl]-4-methylpiperidine
SMILESCC1(Oc2ccccc2Cl)CCN(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C20H23ClFNO2/c1-20(25-19-5-3-2-4-18(19)21)10-12-23(13-11-20)14-15-24-17-8-6-16(22)7-9-17/h2-9H,10-15H2,1H3
InChIKeyIKKYOLPWAOTQAO-UHFFFAOYSA-N
MW363.86 g/mol
LogP4.79
Rot. Bonds6

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

4-(2-chlorophenoxy)-1-[2-(4-fluorophenoxy)ethyl]-4-methylpiperidine (PubChem CID 121418729) has the molecular formula C20H23ClFNO2 and a molecular weight of 363.86 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-1-[2-(4-fluorophenoxy)ethyl]-4-methylpiperidine.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-1-[2-(4-fluorophenoxy)ethyl]-4-methylpiperidine
PubChem CID121418729
Molecular FormulaC20H23ClFNO2
Molecular Weight363.86 g/mol
Exact Mass363.14
IUPAC Name4-(2-chlorophenoxy)-1-[2-(4-fluorophenoxy)ethyl]-4-methylpiperidine
SMILESCC1(Oc2ccccc2Cl)CCN(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C20H23ClFNO2/c1-20(25-19-5-3-2-4-18(19)21)10-12-23(13-11-20)14-15-24-17-8-6-16(22)7-9-17/h2-9H,10-15H2,1H3
InChIKeyIKKYOLPWAOTQAO-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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Related Compounds

3-(2-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)piperidine
CID 121418378
1-(2-bromoethoxy)-2-chlorobenzene;1-[2-(2-chlorophenoxy)ethyl]-4-methyl-4-phenoxypiperidine;4-methyl-4-phenoxypiperidine;hydrochloride
CID 158779869
4-(4-chlorophenoxy)-1-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-4-methylpiperidine
CID 121418386
1-(2-bromoethoxy)-2-fluorobenzene;4-(4-chlorophenoxy)-1-[2-(2-fluorophenoxy)ethyl]-4-methylpiperidine;4-(4-chlorophenoxy)-4-methylpiperidine;hydrochloride
CID 162238753
4-(4-chlorophenoxy)-4-methyl-1-(4-phenoxybutyl)piperidine
CID 121418465
4-(4-chlorophenoxy)-1-[2-(5-fluoro-2-propan-2-yloxyphenoxy)ethyl]-4-methylpiperidine
CID 121418407
1-[2-(2-ethenylphenoxy)ethyl]-4-methyl-4-phenoxypiperidine
CID 121429936
3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine
CID 121418539
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
8-[2-(4-fluorophenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 19794404
4-(aminomethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidin-4-ol
CID 95472427
2-methyl-6-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline
CID 145107872

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-1-[2-(4-fluorophenoxy)ethyl]-4-methylpiperidine?
The IUPAC name of 4-(2-chlorophenoxy)-1-[2-(4-fluorophenoxy)ethyl]-4-methylpiperidine (CID 121418729) is 4-(2-chlorophenoxy)-1-[2-(4-fluorophenoxy)ethyl]-4-methylpiperidine.
What is the SMILES notation for 4-(2-chlorophenoxy)-1-[2-(4-fluorophenoxy)ethyl]-4-methylpiperidine?
The canonical SMILES for 4-(2-chlorophenoxy)-1-[2-(4-fluorophenoxy)ethyl]-4-methylpiperidine is CC1(Oc2ccccc2Cl)CCN(CCOc2ccc(F)cc2)CC1.
What is the InChIKey of 4-(2-chlorophenoxy)-1-[2-(4-fluorophenoxy)ethyl]-4-methylpiperidine?
The InChIKey is IKKYOLPWAOTQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFNO2/c1-20(25-19-5-3-2-4-18(19)21)10-12-23(13-11-20)14-15-24-17-8-6-16(22)7-9-17/h2-9H,10-15H2,1H3.
What are the key properties of 4-(2-chlorophenoxy)-1-[2-(4-fluorophenoxy)ethyl]-4-methylpiperidine?
4-(2-chlorophenoxy)-1-[2-(4-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-(2-chlorophenoxy)-1-[2-(4-fluorophenoxy)ethyl]-4-methylpiperidine is sourced from PubChem (CID 121418729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).