1-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperidine

C20H33NO2 — CID 30075978

IUPAC1-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperidine
SMILESCC1CCN(CCOCCOc2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C20H33NO2/c1-17-9-11-21(12-10-17)13-14-22-15-16-23-19-8-6-5-7-18(19)20(2,3)4/h5-8,17H,9-16H2,1-4H3
InChIKeyBHEVQLYKMAUJEE-UHFFFAOYSA-N
MW319.49 g/mol
LogP4.11
Rot. Bonds7

About 1-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperidine

1-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperidine (PubChem CID 30075978) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 1-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperidine
PubChem CID30075978
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name1-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperidine
SMILESCC1CCN(CCOCCOc2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C20H33NO2/c1-17-9-11-21(12-10-17)13-14-22-15-16-23-19-8-6-5-7-18(19)20(2,3)4/h5-8,17H,9-16H2,1-4H3
InChIKeyBHEVQLYKMAUJEE-UHFFFAOYSA-N
XLogP4.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.11
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-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 40573611
1-[4-(2-tert-butylphenoxy)butyl]piperidine
CID 2057725
1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 2924003
1-[3-(2-tert-butylphenoxy)propyl]piperazine
CID 2194690
1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104567723
1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2298094
1-[2-[2-(2-butan-2-ylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 2923591
(3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
CID 2300152
1-[6-(2-tert-butylphenoxy)hexyl]piperazine
CID 3399314
1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine
CID 2888107
(3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2182375
1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2270730

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperidine?
The IUPAC name of 1-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperidine (CID 30075978) is 1-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperidine.
What is the SMILES notation for 1-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperidine?
The canonical SMILES for 1-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperidine is CC1CCN(CCOCCOc2ccccc2C(C)(C)C)CC1.
What is the InChIKey of 1-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperidine?
The InChIKey is BHEVQLYKMAUJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-17-9-11-21(12-10-17)13-14-22-15-16-23-19-8-6-5-7-18(19)20(2,3)4/h5-8,17H,9-16H2,1-4H3.
What are the key properties of 1-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperidine?
1-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperidine has a molecular weight of 319.49 g/mol, XLogP of 4.11, 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-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperidine is sourced from PubChem (CID 30075978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).