3-[2-(2-butoxyethoxy)ethyl]piperidine

C13H27NO2 — CID 62357528

IUPAC3-[2-(2-butoxyethoxy)ethyl]piperidine
SMILESCCCCOCCOCCC1CCCNC1
InChIInChI=1S/C13H27NO2/c1-2-3-8-15-10-11-16-9-6-13-5-4-7-14-12-13/h13-14H,2-12H2,1H3
InChIKeyNUDURBVDDGWZEW-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds9

About 3-[2-(2-butoxyethoxy)ethyl]piperidine

3-[2-(2-butoxyethoxy)ethyl]piperidine (PubChem CID 62357528) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-[2-(2-butoxyethoxy)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(2-butoxyethoxy)ethyl]piperidine
PubChem CID62357528
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-[2-(2-butoxyethoxy)ethyl]piperidine
SMILESCCCCOCCOCCC1CCCNC1
InChIInChI=1S/C13H27NO2/c1-2-3-8-15-10-11-16-9-6-13-5-4-7-14-12-13/h13-14H,2-12H2,1H3
InChIKeyNUDURBVDDGWZEW-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.21
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

3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]azepane
CID 104680798
3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride
CID 56830022
3-[2-(2-ethoxyethoxy)ethyl]piperidine;hydrochloride
CID 56829882
3-(2-heptoxyethyl)pyrrolidine
CID 114795978
3-[3-(2-methoxyethoxy)propyl]piperidine
CID 103413398
2-(2-piperidin-3-ylethoxy)ethanol
CID 104680589
(3S)-3-heptylpiperidine
CID 155456188
3-(2-propoxyethyl)pyrrolidine
CID 114796170
3-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]piperidine
CID 55064528
3-[2-(3-methylbutoxy)ethyl]piperidine
CID 53409519
(3R)-3-[2-(3-methylbutoxy)ethyl]piperidine
CID 86320703
3-[2-(methoxymethoxy)ethyl]piperidine
CID 106938134

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-butoxyethoxy)ethyl]piperidine?
The IUPAC name of 3-[2-(2-butoxyethoxy)ethyl]piperidine (CID 62357528) is 3-[2-(2-butoxyethoxy)ethyl]piperidine.
What is the SMILES notation for 3-[2-(2-butoxyethoxy)ethyl]piperidine?
The canonical SMILES for 3-[2-(2-butoxyethoxy)ethyl]piperidine is CCCCOCCOCCC1CCCNC1.
What is the InChIKey of 3-[2-(2-butoxyethoxy)ethyl]piperidine?
The InChIKey is NUDURBVDDGWZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-2-3-8-15-10-11-16-9-6-13-5-4-7-14-12-13/h13-14H,2-12H2,1H3.
What are the key properties of 3-[2-(2-butoxyethoxy)ethyl]piperidine?
3-[2-(2-butoxyethoxy)ethyl]piperidine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-butoxyethoxy)ethyl]piperidine is sourced from PubChem (CID 62357528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).