3-(ethenoxymethyl)-1-methylpiperidine

C9H17NO — CID 122664385

IUPAC3-(ethenoxymethyl)-1-methylpiperidine
SMILESC=COCC1CCCN(C)C1
InChIInChI=1S/C9H17NO/c1-3-11-8-9-5-4-6-10(2)7-9/h3,9H,1,4-8H2,2H3
InChIKeyIISYGWMUQYGCIQ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.49
Rot. Bonds3

About 3-(ethenoxymethyl)-1-methylpiperidine

3-(ethenoxymethyl)-1-methylpiperidine (PubChem CID 122664385) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-(ethenoxymethyl)-1-methylpiperidine.

Molecular Properties

Compound Name3-(ethenoxymethyl)-1-methylpiperidine
PubChem CID122664385
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-(ethenoxymethyl)-1-methylpiperidine
SMILESC=COCC1CCCN(C)C1
InChIInChI=1S/C9H17NO/c1-3-11-8-9-5-4-6-10(2)7-9/h3,9H,1,4-8H2,2H3
InChIKeyIISYGWMUQYGCIQ-UHFFFAOYSA-N
XLogP1.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332
3-but-3-enyl-1-methylpiperidine
CID 55275631
1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane
CID 22917925
1-methyl-3-(propoxymethyl)piperidine
CID 148501632
N-(methoxymethyl)-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
CID 115258790
(3S)-3-(chloromethyl)-1-methylpiperidine
CID 1268113
ethane;3-ethyl-1-methylpiperidine
CID 142833851
ethane;(1-methylpiperidin-3-yl)methanol
CID 142013659
2-[(1-methylpiperidin-3-yl)methyl]prop-2-enoic acid
CID 117266962
methyl (1-methylpiperidin-3-yl)methanesulfonate
CID 175223717
3-(1-methylpiperidin-3-yl)propanal
CID 83905184
benzyl 3-(ethenoxymethyl)piperidine-1-carboxylate
CID 118182040

Frequently Asked Questions

What is the IUPAC name of 3-(ethenoxymethyl)-1-methylpiperidine?
The IUPAC name of 3-(ethenoxymethyl)-1-methylpiperidine (CID 122664385) is 3-(ethenoxymethyl)-1-methylpiperidine.
What is the SMILES notation for 3-(ethenoxymethyl)-1-methylpiperidine?
The canonical SMILES for 3-(ethenoxymethyl)-1-methylpiperidine is C=COCC1CCCN(C)C1.
What is the InChIKey of 3-(ethenoxymethyl)-1-methylpiperidine?
The InChIKey is IISYGWMUQYGCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-11-8-9-5-4-6-10(2)7-9/h3,9H,1,4-8H2,2H3.
What are the key properties of 3-(ethenoxymethyl)-1-methylpiperidine?
3-(ethenoxymethyl)-1-methylpiperidine has a molecular weight of 155.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenoxymethyl)-1-methylpiperidine is sourced from PubChem (CID 122664385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).