1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidine

C11H21NO — CID 131969237

IUPAC1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidine
SMILESC=C(OC(C)(C)C)N1CCCCC1
InChIInChI=1S/C11H21NO/c1-10(13-11(2,3)4)12-8-6-5-7-9-12/h1,5-9H2,2-4H3
InChIKeyXPPGXWVVGFAEEQ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.76
Rot. Bonds2

About 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidine

1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidine (PubChem CID 131969237) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidine.

Molecular Properties

Compound Name1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidine
PubChem CID131969237
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidine
SMILESC=C(OC(C)(C)C)N1CCCCC1
InChIInChI=1S/C11H21NO/c1-10(13-11(2,3)4)12-8-6-5-7-9-12/h1,5-9H2,2-4H3
InChIKeyXPPGXWVVGFAEEQ-UHFFFAOYSA-N
XLogP2.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.76
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

tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
methyl 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine-3-carboxylate
CID 121322050
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
4-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]but-1-en-2-amine
CID 145427336
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
3-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine
CID 89257050
(4-hydroxyphenyl)-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]methanone
CID 123142194
1-(3,3-difluorobut-1-en-2-yl)piperidine
CID 142415656
tert-butyl 3-(piperidine-1-carbonyl)azetidine-1-carboxylate
CID 166469666
1-prop-1-en-2-ylpiperidine
CID 12570653
tert-butyl azetidine-1-carboxylate iodide
CID 86693715
tert-butyl 2,2,2-trifluoroacetate;piperidine-1-carboxylic acid
CID 141216999

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidine?
The IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidine (CID 131969237) is 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidine.
What is the SMILES notation for 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidine?
The canonical SMILES for 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidine is C=C(OC(C)(C)C)N1CCCCC1.
What is the InChIKey of 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidine?
The InChIKey is XPPGXWVVGFAEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(13-11(2,3)4)12-8-6-5-7-9-12/h1,5-9H2,2-4H3.
What are the key properties of 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidine?
1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidine has a molecular weight of 183.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidine is sourced from PubChem (CID 131969237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).