3-(2-methylprop-2-enoxymethyl)piperidine

C10H19NO — CID 45075310

IUPAC3-(2-methylprop-2-enoxymethyl)piperidine
SMILESC=C(C)COCC1CCCNC1
InChIInChI=1S/C10H19NO/c1-9(2)7-12-8-10-4-3-5-11-6-10/h10-11H,1,3-8H2,2H3
InChIKeyXFZJKRHLUGWLEW-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.58
Rot. Bonds4

About 3-(2-methylprop-2-enoxymethyl)piperidine

3-(2-methylprop-2-enoxymethyl)piperidine (PubChem CID 45075310) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoxymethyl)piperidine.

Molecular Properties

Compound Name3-(2-methylprop-2-enoxymethyl)piperidine
PubChem CID45075310
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(2-methylprop-2-enoxymethyl)piperidine
SMILESC=C(C)COCC1CCCNC1
InChIInChI=1S/C10H19NO/c1-9(2)7-12-8-10-4-3-5-11-6-10/h10-11H,1,3-8H2,2H3
InChIKeyXFZJKRHLUGWLEW-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoxymethyl)piperidine?
The IUPAC name of 3-(2-methylprop-2-enoxymethyl)piperidine (CID 45075310) is 3-(2-methylprop-2-enoxymethyl)piperidine.
What is the SMILES notation for 3-(2-methylprop-2-enoxymethyl)piperidine?
The canonical SMILES for 3-(2-methylprop-2-enoxymethyl)piperidine is C=C(C)COCC1CCCNC1.
What is the InChIKey of 3-(2-methylprop-2-enoxymethyl)piperidine?
The InChIKey is XFZJKRHLUGWLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)7-12-8-10-4-3-5-11-6-10/h10-11H,1,3-8H2,2H3.
What are the key properties of 3-(2-methylprop-2-enoxymethyl)piperidine?
3-(2-methylprop-2-enoxymethyl)piperidine has a molecular weight of 169.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoxymethyl)piperidine is sourced from PubChem (CID 45075310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).