4-(4-chlorophenoxy)-4-methyl-1-(4-phenoxybutyl)piperidine

C22H28ClNO2 — CID 121418465

IUPAC4-(4-chlorophenoxy)-4-methyl-1-(4-phenoxybutyl)piperidine
SMILESCC1(Oc2ccc(Cl)cc2)CCN(CCCCOc2ccccc2)CC1
InChIInChI=1S/C22H28ClNO2/c1-22(26-21-11-9-19(23)10-12-21)13-16-24(17-14-22)15-5-6-18-25-20-7-3-2-4-8-20/h2-4,7-12H,5-6,13-18H2,1H3
InChIKeyAFPJMGOVOUUGIQ-UHFFFAOYSA-N
MW373.92 g/mol
LogP5.43
Rot. Bonds8

About 4-(4-chlorophenoxy)-4-methyl-1-(4-phenoxybutyl)piperidine

4-(4-chlorophenoxy)-4-methyl-1-(4-phenoxybutyl)piperidine (PubChem CID 121418465) has the molecular formula C22H28ClNO2 and a molecular weight of 373.92 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-4-methyl-1-(4-phenoxybutyl)piperidine.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-4-methyl-1-(4-phenoxybutyl)piperidine
PubChem CID121418465
Molecular FormulaC22H28ClNO2
Molecular Weight373.92 g/mol
Exact Mass373.18
IUPAC Name4-(4-chlorophenoxy)-4-methyl-1-(4-phenoxybutyl)piperidine
SMILESCC1(Oc2ccc(Cl)cc2)CCN(CCCCOc2ccccc2)CC1
InChIInChI=1S/C22H28ClNO2/c1-22(26-21-11-9-19(23)10-12-21)13-16-24(17-14-22)15-5-6-18-25-20-7-3-2-4-8-20/h2-4,7-12H,5-6,13-18H2,1H3
InChIKeyAFPJMGOVOUUGIQ-UHFFFAOYSA-N
XLogP5.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.92
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-(4-chlorophenoxy)-4-methylpiperidin-1-yl]butyl]benzonitrile
CID 121429939
4-(2-chlorophenoxy)-1-[2-(4-fluorophenoxy)ethyl]-4-methylpiperidine
CID 121418729
3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine
CID 121418539
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
3-(4-chlorophenoxy)-1-[2-(3-ethenylphenoxy)ethyl]-3-methylpyrrolidine
CID 121430055
1-[2-(2-ethenylphenoxy)ethyl]-4-methyl-4-phenoxypiperidine
CID 121429936
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)-1-(3-phenylpropyl)piperidine-4-carboxylic acid
CID 70736989
1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol
CID 107407990

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-4-methyl-1-(4-phenoxybutyl)piperidine?
The IUPAC name of 4-(4-chlorophenoxy)-4-methyl-1-(4-phenoxybutyl)piperidine (CID 121418465) is 4-(4-chlorophenoxy)-4-methyl-1-(4-phenoxybutyl)piperidine.
What is the SMILES notation for 4-(4-chlorophenoxy)-4-methyl-1-(4-phenoxybutyl)piperidine?
The canonical SMILES for 4-(4-chlorophenoxy)-4-methyl-1-(4-phenoxybutyl)piperidine is CC1(Oc2ccc(Cl)cc2)CCN(CCCCOc2ccccc2)CC1.
What is the InChIKey of 4-(4-chlorophenoxy)-4-methyl-1-(4-phenoxybutyl)piperidine?
The InChIKey is AFPJMGOVOUUGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClNO2/c1-22(26-21-11-9-19(23)10-12-21)13-16-24(17-14-22)15-5-6-18-25-20-7-3-2-4-8-20/h2-4,7-12H,5-6,13-18H2,1H3.
What are the key properties of 4-(4-chlorophenoxy)-4-methyl-1-(4-phenoxybutyl)piperidine?
4-(4-chlorophenoxy)-4-methyl-1-(4-phenoxybutyl)piperidine has a molecular weight of 373.92 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-4-methyl-1-(4-phenoxybutyl)piperidine is sourced from PubChem (CID 121418465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).