2-[2-(oxan-2-ylmethoxy)ethyl]piperidine

C13H25NO2 — CID 43149954

IUPAC2-[2-(oxan-2-ylmethoxy)ethyl]piperidine
SMILESC1CCC(CCOCC2CCCCO2)NC1
InChIInChI=1S/C13H25NO2/c1-3-8-14-12(5-1)7-10-15-11-13-6-2-4-9-16-13/h12-14H,1-11H2
InChIKeyQLQHEVOSYMSFFK-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.10
Rot. Bonds5

About 2-[2-(oxan-2-ylmethoxy)ethyl]piperidine

2-[2-(oxan-2-ylmethoxy)ethyl]piperidine (PubChem CID 43149954) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[2-(oxan-2-ylmethoxy)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(oxan-2-ylmethoxy)ethyl]piperidine
PubChem CID43149954
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[2-(oxan-2-ylmethoxy)ethyl]piperidine
SMILESC1CCC(CCOCC2CCCCO2)NC1
InChIInChI=1S/C13H25NO2/c1-3-8-14-12(5-1)7-10-15-11-13-6-2-4-9-16-13/h12-14H,1-11H2
InChIKeyQLQHEVOSYMSFFK-UHFFFAOYSA-N
XLogP2.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.10
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

2-[2-(oxolan-2-ylmethoxy)ethyl]piperidine
CID 43149956
2-[2-[2-(oxolan-2-yl)ethoxy]ethyl]piperidine
CID 65163156
2-(oxan-2-ylmethoxymethyl)piperidine
CID 24705678
2-[2-(oxolan-2-yl)ethyl]azepane
CID 65165343
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
2-[2-(1-oxaspiro[4.5]decan-2-ylmethoxy)ethyl]piperidine
CID 102898856
2-[3-(oxolan-2-yl)propyl]azepane
CID 65165342
4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidine
CID 26192445
2-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 91298433
2-[2-(2-cyclohexylethoxy)ethyl]piperidine
CID 56829863
3-(oxan-2-ylmethoxy)propan-1-ol
CID 63054995
(2R)-2-[[(2R)-oxolan-2-yl]methoxymethyl]azetidine
CID 86324289

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-2-ylmethoxy)ethyl]piperidine?
The IUPAC name of 2-[2-(oxan-2-ylmethoxy)ethyl]piperidine (CID 43149954) is 2-[2-(oxan-2-ylmethoxy)ethyl]piperidine.
What is the SMILES notation for 2-[2-(oxan-2-ylmethoxy)ethyl]piperidine?
The canonical SMILES for 2-[2-(oxan-2-ylmethoxy)ethyl]piperidine is C1CCC(CCOCC2CCCCO2)NC1.
What is the InChIKey of 2-[2-(oxan-2-ylmethoxy)ethyl]piperidine?
The InChIKey is QLQHEVOSYMSFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-8-14-12(5-1)7-10-15-11-13-6-2-4-9-16-13/h12-14H,1-11H2.
What are the key properties of 2-[2-(oxan-2-ylmethoxy)ethyl]piperidine?
2-[2-(oxan-2-ylmethoxy)ethyl]piperidine has a molecular weight of 227.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-2-ylmethoxy)ethyl]piperidine is sourced from PubChem (CID 43149954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).