1-(2-ethoxyethoxymethyl)-4-propan-2-ylpiperidine

C13H27NO2 — CID 176984511

IUPAC1-(2-ethoxyethoxymethyl)-4-propan-2-ylpiperidine
SMILESCCOCCOCN1CCC(C(C)C)CC1
InChIInChI=1S/C13H27NO2/c1-4-15-9-10-16-11-14-7-5-13(6-8-14)12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyLLIQAPFVIKVBBQ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.37
Rot. Bonds7

About 1-(2-ethoxyethoxymethyl)-4-propan-2-ylpiperidine

1-(2-ethoxyethoxymethyl)-4-propan-2-ylpiperidine (PubChem CID 176984511) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-(2-ethoxyethoxymethyl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(2-ethoxyethoxymethyl)-4-propan-2-ylpiperidine
PubChem CID176984511
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-(2-ethoxyethoxymethyl)-4-propan-2-ylpiperidine
SMILESCCOCCOCN1CCC(C(C)C)CC1
InChIInChI=1S/C13H27NO2/c1-4-15-9-10-16-11-14-7-5-13(6-8-14)12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyLLIQAPFVIKVBBQ-UHFFFAOYSA-N
XLogP2.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.37
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

1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-methylethanamine
CID 63852723
4-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(2-methylpropyl)piperidine
CID 166035331
1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 115688731
1-(iodomethyl)-4-propan-2-ylpiperidine
CID 149079788
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342
3-methyl-1-[2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]butan-2-one
CID 170541307
1-(2-ethoxyethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane
CID 114772593
1-ethyl-4-[2-(4-propan-2-ylpiperidin-1-yl)ethoxymethyl]piperidine
CID 176983279
4-(4-propan-2-ylpiperidin-1-yl)butyl hypofluorite
CID 176985714
1-(2-bromoethyl)-4-propan-2-ylpiperidine
CID 103501528
N-(2-ethoxyethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115709922

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxymethyl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(2-ethoxyethoxymethyl)-4-propan-2-ylpiperidine (CID 176984511) is 1-(2-ethoxyethoxymethyl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(2-ethoxyethoxymethyl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(2-ethoxyethoxymethyl)-4-propan-2-ylpiperidine is CCOCCOCN1CCC(C(C)C)CC1.
What is the InChIKey of 1-(2-ethoxyethoxymethyl)-4-propan-2-ylpiperidine?
The InChIKey is LLIQAPFVIKVBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-15-9-10-16-11-14-7-5-13(6-8-14)12(2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-(2-ethoxyethoxymethyl)-4-propan-2-ylpiperidine?
1-(2-ethoxyethoxymethyl)-4-propan-2-ylpiperidine has a molecular weight of 229.36 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxymethyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 176984511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).