3-(2-butoxyethoxy)piperidine

C11H23NO2 — CID 55151121

IUPAC3-(2-butoxyethoxy)piperidine
SMILESCCCCOCCOC1CCCNC1
InChIInChI=1S/C11H23NO2/c1-2-3-7-13-8-9-14-11-5-4-6-12-10-11/h11-12H,2-10H2,1H3
InChIKeyROLFUWFVHCVTDS-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.57
Rot. Bonds7

About 3-(2-butoxyethoxy)piperidine

3-(2-butoxyethoxy)piperidine (PubChem CID 55151121) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)piperidine.

Molecular Properties

Compound Name3-(2-butoxyethoxy)piperidine
PubChem CID55151121
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-(2-butoxyethoxy)piperidine
SMILESCCCCOCCOC1CCCNC1
InChIInChI=1S/C11H23NO2/c1-2-3-7-13-8-9-14-11-5-4-6-12-10-11/h11-12H,2-10H2,1H3
InChIKeyROLFUWFVHCVTDS-UHFFFAOYSA-N
XLogP1.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(2-propoxyethoxy)pyrrolidine
CID 86322695
2-butoxyethoxycyclobutane
CID 150038799
3-[2-(2-butoxyethoxy)ethyl]piperidine
CID 62357528
2-methyl-4-piperidin-3-yloxybutan-2-ol
CID 79355379
(3S)-3-(2-fluoroethoxy)piperidine
CID 80695434
2-piperidin-3-yloxyethanol
CID 43197065
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]azepane
CID 104680798
(3S)-3-(2-methylpentoxy)piperidine
CID 66247189
4-[2-(3-methoxypropoxy)ethoxy]azepane
CID 103175847
(3R)-3-propoxypyrrolidine;hydrochloride
CID 138393556
butoxycyclobutane
CID 54057236
ethyl 6-piperidin-3-yloxyhexanoate
CID 106939322

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxy)piperidine?
The IUPAC name of 3-(2-butoxyethoxy)piperidine (CID 55151121) is 3-(2-butoxyethoxy)piperidine.
What is the SMILES notation for 3-(2-butoxyethoxy)piperidine?
The canonical SMILES for 3-(2-butoxyethoxy)piperidine is CCCCOCCOC1CCCNC1.
What is the InChIKey of 3-(2-butoxyethoxy)piperidine?
The InChIKey is ROLFUWFVHCVTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-2-3-7-13-8-9-14-11-5-4-6-12-10-11/h11-12H,2-10H2,1H3.
What are the key properties of 3-(2-butoxyethoxy)piperidine?
3-(2-butoxyethoxy)piperidine has a molecular weight of 201.31 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)piperidine is sourced from PubChem (CID 55151121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).