1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine

C18H28BrNO2 — CID 2269669

IUPAC1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine
SMILESCc1cc(C)c(OCCOCCN2CCC(C)CC2)c(Br)c1
InChIInChI=1S/C18H28BrNO2/c1-14-4-6-20(7-5-14)8-9-21-10-11-22-18-16(3)12-15(2)13-17(18)19/h12-14H,4-11H2,1-3H3
InChIKeyDQIWFQSBRMSSBW-UHFFFAOYSA-N
MW370.33 g/mol
LogP4.19
Rot. Bonds7

About 1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine

1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine (PubChem CID 2269669) has the molecular formula C18H28BrNO2 and a molecular weight of 370.33 g/mol. Its IUPAC name is 1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine
PubChem CID2269669
Molecular FormulaC18H28BrNO2
Molecular Weight370.33 g/mol
Exact Mass369.13
IUPAC Name1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine
SMILESCc1cc(C)c(OCCOCCN2CCC(C)CC2)c(Br)c1
InChIInChI=1S/C18H28BrNO2/c1-14-4-6-20(7-5-14)8-9-21-10-11-22-18-16(3)12-15(2)13-17(18)19/h12-14H,4-11H2,1-3H3
InChIKeyDQIWFQSBRMSSBW-UHFFFAOYSA-N
XLogP4.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 54.19
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-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine
CID 16616243
4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine;oxalic acid
CID 16616242
1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2270730
ethyl 1-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]piperidine-4-carboxylate;hydrochloride
CID 6459976
4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 2935813
2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]-N,N-dimethylethanamine
CID 2181881
1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2298094
1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]-4-methylpiperidine
CID 171109320
1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 2888311
4-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]morpholine;oxalic acid
CID 2924016
1-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 44828222
1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 2924003

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine?
The IUPAC name of 1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine (CID 2269669) is 1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine.
What is the SMILES notation for 1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine?
The canonical SMILES for 1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine is Cc1cc(C)c(OCCOCCN2CCC(C)CC2)c(Br)c1.
What is the InChIKey of 1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine?
The InChIKey is DQIWFQSBRMSSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO2/c1-14-4-6-20(7-5-14)8-9-21-10-11-22-18-16(3)12-15(2)13-17(18)19/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine?
1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine has a molecular weight of 370.33 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine is sourced from PubChem (CID 2269669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).