4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine

C19H31NO2 — CID 16616243

IUPAC4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine
SMILESCc1cc(C)c(OCCOCCN2CCC(C)CC2)c(C)c1
InChIInChI=1S/C19H31NO2/c1-15-5-7-20(8-6-15)9-10-21-11-12-22-19-17(3)13-16(2)14-18(19)4/h13-15H,5-12H2,1-4H3
InChIKeyKYZBZDUFCWMQBG-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.74
Rot. Bonds7

About 4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine

4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine (PubChem CID 16616243) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine
PubChem CID16616243
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine
SMILESCc1cc(C)c(OCCOCCN2CCC(C)CC2)c(C)c1
InChIInChI=1S/C19H31NO2/c1-15-5-7-20(8-6-15)9-10-21-11-12-22-19-17(3)13-16(2)14-18(19)4/h13-15H,5-12H2,1-4H3
InChIKeyKYZBZDUFCWMQBG-UHFFFAOYSA-N
XLogP3.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.74
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;oxalic acid
CID 16616242
1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2269669
1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2270730
1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2298094
1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 2888311
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
4-methyl-1-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 2270733
4-methyl-1-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 40573611
2-[2-(4-methylpiperidin-1-yl)ethoxy]ethanamine
CID 39237896
1-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 30075978
1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine
CID 40804379

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine?
The IUPAC name of 4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine (CID 16616243) is 4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine.
What is the SMILES notation for 4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine?
The canonical SMILES for 4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine is Cc1cc(C)c(OCCOCCN2CCC(C)CC2)c(C)c1.
What is the InChIKey of 4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine?
The InChIKey is KYZBZDUFCWMQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-15-5-7-20(8-6-15)9-10-21-11-12-22-19-17(3)13-16(2)14-18(19)4/h13-15H,5-12H2,1-4H3.
What are the key properties of 4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine?
4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine has a molecular weight of 305.46 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine is sourced from PubChem (CID 16616243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).