4-(2-ethoxyprop-2-enyl)-1-(2-methylpropyl)piperidine

C14H27NO — CID 143432851

IUPAC4-(2-ethoxyprop-2-enyl)-1-(2-methylpropyl)piperidine
SMILESC=C(CC1CCN(CC(C)C)CC1)OCC
InChIInChI=1S/C14H27NO/c1-5-16-13(4)10-14-6-8-15(9-7-14)11-12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyMSHJNMTULVUEQD-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.29
Rot. Bonds6

About 4-(2-ethoxyprop-2-enyl)-1-(2-methylpropyl)piperidine

4-(2-ethoxyprop-2-enyl)-1-(2-methylpropyl)piperidine (PubChem CID 143432851) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-(2-ethoxyprop-2-enyl)-1-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-(2-ethoxyprop-2-enyl)-1-(2-methylpropyl)piperidine
PubChem CID143432851
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-(2-ethoxyprop-2-enyl)-1-(2-methylpropyl)piperidine
SMILESC=C(CC1CCN(CC(C)C)CC1)OCC
InChIInChI=1S/C14H27NO/c1-5-16-13(4)10-14-6-8-15(9-7-14)11-12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyMSHJNMTULVUEQD-UHFFFAOYSA-N
XLogP3.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.29
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyprop-2-enyl)-1-(2-methylpropyl)piperidine?
The IUPAC name of 4-(2-ethoxyprop-2-enyl)-1-(2-methylpropyl)piperidine (CID 143432851) is 4-(2-ethoxyprop-2-enyl)-1-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-(2-ethoxyprop-2-enyl)-1-(2-methylpropyl)piperidine?
The canonical SMILES for 4-(2-ethoxyprop-2-enyl)-1-(2-methylpropyl)piperidine is C=C(CC1CCN(CC(C)C)CC1)OCC.
What is the InChIKey of 4-(2-ethoxyprop-2-enyl)-1-(2-methylpropyl)piperidine?
The InChIKey is MSHJNMTULVUEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-16-13(4)10-14-6-8-15(9-7-14)11-12(2)3/h12,14H,4-11H2,1-3H3.
What are the key properties of 4-(2-ethoxyprop-2-enyl)-1-(2-methylpropyl)piperidine?
4-(2-ethoxyprop-2-enyl)-1-(2-methylpropyl)piperidine has a molecular weight of 225.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyprop-2-enyl)-1-(2-methylpropyl)piperidine is sourced from PubChem (CID 143432851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).