5-ethoxy-2-(methoxymethoxymethyl)piperidine

C10H21NO3 — CID 171842461

IUPAC5-ethoxy-2-(methoxymethoxymethyl)piperidine
SMILESCCOC1CCC(COCOC)NC1
InChIInChI=1S/C10H21NO3/c1-3-14-10-5-4-9(11-6-10)7-13-8-12-2/h9-11H,3-8H2,1-2H3
InChIKeyOKOMHOLCHAQHQO-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.76
Rot. Bonds6

About 5-ethoxy-2-(methoxymethoxymethyl)piperidine

5-ethoxy-2-(methoxymethoxymethyl)piperidine (PubChem CID 171842461) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 5-ethoxy-2-(methoxymethoxymethyl)piperidine.

Molecular Properties

Compound Name5-ethoxy-2-(methoxymethoxymethyl)piperidine
PubChem CID171842461
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name5-ethoxy-2-(methoxymethoxymethyl)piperidine
SMILESCCOC1CCC(COCOC)NC1
InChIInChI=1S/C10H21NO3/c1-3-14-10-5-4-9(11-6-10)7-13-8-12-2/h9-11H,3-8H2,1-2H3
InChIKeyOKOMHOLCHAQHQO-UHFFFAOYSA-N
XLogP0.76
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-4-ethoxy-2-propylpyrrolidine
CID 99994308
(2R,4S)-4-ethoxy-2-(2-methylpropyl)pyrrolidine
CID 99994354
(2S,4R)-2-butyl-4-ethoxypyrrolidine
CID 99994328
3-ethoxypyrrolidine
CID 21333172
(3S)-3-ethoxypyrrolidine
CID 11116030
2-(ethoxymethyl)pyrrolidine;2-(methoxymethyl)pyrrolidine
CID 145216939
(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 119057051
4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 122236424
ethane;(5-methoxypiperidin-2-yl)methanol
CID 156651276
ethane;3-ethoxypyrrolidine
CID 142624915
3-ethoxyazetidine
CID 22507733
(2S,4S)-2-ethyl-4-(2-methoxyethoxy)pyrrolidine
CID 99994845

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(methoxymethoxymethyl)piperidine?
The IUPAC name of 5-ethoxy-2-(methoxymethoxymethyl)piperidine (CID 171842461) is 5-ethoxy-2-(methoxymethoxymethyl)piperidine.
What is the SMILES notation for 5-ethoxy-2-(methoxymethoxymethyl)piperidine?
The canonical SMILES for 5-ethoxy-2-(methoxymethoxymethyl)piperidine is CCOC1CCC(COCOC)NC1.
What is the InChIKey of 5-ethoxy-2-(methoxymethoxymethyl)piperidine?
The InChIKey is OKOMHOLCHAQHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-14-10-5-4-9(11-6-10)7-13-8-12-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 5-ethoxy-2-(methoxymethoxymethyl)piperidine?
5-ethoxy-2-(methoxymethoxymethyl)piperidine has a molecular weight of 203.28 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(methoxymethoxymethyl)piperidine is sourced from PubChem (CID 171842461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).