1-[1-(1-propan-2-yloxyethoxy)ethyl]piperidine

C12H25NO2 — CID 68590566

IUPAC1-[1-(1-propan-2-yloxyethoxy)ethyl]piperidine
SMILESCC(C)OC(C)OC(C)N1CCCCC1
InChIInChI=1S/C12H25NO2/c1-10(2)14-12(4)15-11(3)13-8-6-5-7-9-13/h10-12H,5-9H2,1-4H3
InChIKeyZBGDWEUUOMHMJY-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.61
Rot. Bonds5

About 1-[1-(1-propan-2-yloxyethoxy)ethyl]piperidine

1-[1-(1-propan-2-yloxyethoxy)ethyl]piperidine (PubChem CID 68590566) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-[1-(1-propan-2-yloxyethoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[1-(1-propan-2-yloxyethoxy)ethyl]piperidine
PubChem CID68590566
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-[1-(1-propan-2-yloxyethoxy)ethyl]piperidine
SMILESCC(C)OC(C)OC(C)N1CCCCC1
InChIInChI=1S/C12H25NO2/c1-10(2)14-12(4)15-11(3)13-8-6-5-7-9-13/h10-12H,5-9H2,1-4H3
InChIKeyZBGDWEUUOMHMJY-UHFFFAOYSA-N
XLogP2.61
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-(1-piperidin-1-ylethoxy)ethyl]piperidine
CID 19822700
1-[1-(1-ethoxyethoxy)ethyl]pyrrolidine
CID 68592080
1-[1-(1-pentan-2-yloxyethoxy)ethyl]piperidine
CID 68587907
2-[1-(1-pyrrolidin-1-ylethoxy)ethoxy]ethanol
CID 70418187
cyclohexane;2-propan-2-yloxypropane
CID 22558525
methoxymethane;1-propan-2-ylazepane
CID 178173420
methoxymethane;1-propan-2-ylpiperidine
CID 153352735
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
(1S)-1-piperidin-1-ylethanol
CID 86312531
1-(4-piperidin-1-ylpentan-2-yl)piperidine
CID 174442116
1-(2-deuteriopropan-2-yl)piperidine
CID 141005811

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-propan-2-yloxyethoxy)ethyl]piperidine?
The IUPAC name of 1-[1-(1-propan-2-yloxyethoxy)ethyl]piperidine (CID 68590566) is 1-[1-(1-propan-2-yloxyethoxy)ethyl]piperidine.
What is the SMILES notation for 1-[1-(1-propan-2-yloxyethoxy)ethyl]piperidine?
The canonical SMILES for 1-[1-(1-propan-2-yloxyethoxy)ethyl]piperidine is CC(C)OC(C)OC(C)N1CCCCC1.
What is the InChIKey of 1-[1-(1-propan-2-yloxyethoxy)ethyl]piperidine?
The InChIKey is ZBGDWEUUOMHMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)14-12(4)15-11(3)13-8-6-5-7-9-13/h10-12H,5-9H2,1-4H3.
What are the key properties of 1-[1-(1-propan-2-yloxyethoxy)ethyl]piperidine?
1-[1-(1-propan-2-yloxyethoxy)ethyl]piperidine has a molecular weight of 215.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-propan-2-yloxyethoxy)ethyl]piperidine is sourced from PubChem (CID 68590566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).