5-but-2-enoxy-2-methylpiperidine;ethane

C12H25NO — CID 142379208

IUPAC5-but-2-enoxy-2-methylpiperidine;ethane
SMILESCC.CC=CCOC1CCC(C)NC1
InChIInChI=1S/C10H19NO.C2H6/c1-3-4-7-12-10-6-5-9(2)11-8-10;1-2/h3-4,9-11H,5-8H2,1-2H3;1-2H3
InChIKeyCLGNILDQIJFFGN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds3

About 5-but-2-enoxy-2-methylpiperidine;ethane

5-but-2-enoxy-2-methylpiperidine;ethane (PubChem CID 142379208) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 5-but-2-enoxy-2-methylpiperidine;ethane.

Molecular Properties

Compound Name5-but-2-enoxy-2-methylpiperidine;ethane
PubChem CID142379208
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name5-but-2-enoxy-2-methylpiperidine;ethane
SMILESCC.CC=CCOC1CCC(C)NC1
InChIInChI=1S/C10H19NO.C2H6/c1-3-4-7-12-10-6-5-9(2)11-8-10;1-2/h3-4,9-11H,5-8H2,1-2H3;1-2H3
InChIKeyCLGNILDQIJFFGN-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-prop-2-enoxypiperidine
CID 26191208
(3S)-3-prop-2-enoxypiperidine
CID 26191211
3-(Allyloxy)piperidine
CID 45075369
3-(Allyloxy)piperidine hydrochloride
CID 46735649
(3s)-3-(Allyloxy)piperidine hydrochloride salt
CID 69041856
(3r)-3-(Allyloxy)piperidine hydrochloride salt
CID 69042280
(2R)-2-(prop-2-enoxymethyl)piperidine
CID 94403249
(3R,5S)-3-methoxy-5-prop-2-enoxypiperidine
CID 170563825
(3R)-3-(3-methylbut-2-enoxy)piperidine
CID 26191203
(3S)-3-(3-methylbut-2-enoxy)piperidine
CID 26191206
3-(3-Methylbut-2-enoxy)piperidine
CID 45075368
3-[(3-Methyl-2-butenyl)oxy]piperidine hydrochloride
CID 46735648

Frequently Asked Questions

What is the IUPAC name of 5-but-2-enoxy-2-methylpiperidine;ethane?
The IUPAC name of 5-but-2-enoxy-2-methylpiperidine;ethane (CID 142379208) is 5-but-2-enoxy-2-methylpiperidine;ethane.
What is the SMILES notation for 5-but-2-enoxy-2-methylpiperidine;ethane?
The canonical SMILES for 5-but-2-enoxy-2-methylpiperidine;ethane is CC.CC=CCOC1CCC(C)NC1.
What is the InChIKey of 5-but-2-enoxy-2-methylpiperidine;ethane?
The InChIKey is CLGNILDQIJFFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C2H6/c1-3-4-7-12-10-6-5-9(2)11-8-10;1-2/h3-4,9-11H,5-8H2,1-2H3;1-2H3.
What are the key properties of 5-but-2-enoxy-2-methylpiperidine;ethane?
5-but-2-enoxy-2-methylpiperidine;ethane has a molecular weight of 199.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-enoxy-2-methylpiperidine;ethane is sourced from PubChem (CID 142379208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).