3-ethyl-2,5-bis(prop-1-en-2-yl)piperidine

C13H23N — CID 134394906

IUPAC3-ethyl-2,5-bis(prop-1-en-2-yl)piperidine
SMILESC=C(C)C1CNC(C(=C)C)C(CC)C1
InChIInChI=1S/C13H23N/c1-6-11-7-12(9(2)3)8-14-13(11)10(4)5/h11-14H,2,4,6-8H2,1,3,5H3
InChIKeyMXPLHIDIWTUOTK-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.14
Rot. Bonds3

About 3-ethyl-2,5-bis(prop-1-en-2-yl)piperidine

3-ethyl-2,5-bis(prop-1-en-2-yl)piperidine (PubChem CID 134394906) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 3-ethyl-2,5-bis(prop-1-en-2-yl)piperidine.

Molecular Properties

Compound Name3-ethyl-2,5-bis(prop-1-en-2-yl)piperidine
PubChem CID134394906
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name3-ethyl-2,5-bis(prop-1-en-2-yl)piperidine
SMILESC=C(C)C1CNC(C(=C)C)C(CC)C1
InChIInChI=1S/C13H23N/c1-6-11-7-12(9(2)3)8-14-13(11)10(4)5/h11-14H,2,4,6-8H2,1,3,5H3
InChIKeyMXPLHIDIWTUOTK-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-ethyl-2,5-bis(prop-1-en-2-yl)piperidine?
The IUPAC name of 3-ethyl-2,5-bis(prop-1-en-2-yl)piperidine (CID 134394906) is 3-ethyl-2,5-bis(prop-1-en-2-yl)piperidine.
What is the SMILES notation for 3-ethyl-2,5-bis(prop-1-en-2-yl)piperidine?
The canonical SMILES for 3-ethyl-2,5-bis(prop-1-en-2-yl)piperidine is C=C(C)C1CNC(C(=C)C)C(CC)C1.
What is the InChIKey of 3-ethyl-2,5-bis(prop-1-en-2-yl)piperidine?
The InChIKey is MXPLHIDIWTUOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-6-11-7-12(9(2)3)8-14-13(11)10(4)5/h11-14H,2,4,6-8H2,1,3,5H3.
What are the key properties of 3-ethyl-2,5-bis(prop-1-en-2-yl)piperidine?
3-ethyl-2,5-bis(prop-1-en-2-yl)piperidine has a molecular weight of 193.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5-bis(prop-1-en-2-yl)piperidine is sourced from PubChem (CID 134394906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).