3-(4-ethylphenyl)-5-prop-2-enylpiperidine

C16H23N — CID 167080850

IUPAC3-(4-ethylphenyl)-5-prop-2-enylpiperidine
SMILESC=CCC1CNCC(c2ccc(CC)cc2)C1
InChIInChI=1S/C16H23N/c1-3-5-14-10-16(12-17-11-14)15-8-6-13(4-2)7-9-15/h3,6-9,14,16-17H,1,4-5,10-12H2,2H3
InChIKeyNWXFOEGJLASYPU-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.52
Rot. Bonds4

About 3-(4-ethylphenyl)-5-prop-2-enylpiperidine

3-(4-ethylphenyl)-5-prop-2-enylpiperidine (PubChem CID 167080850) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-5-prop-2-enylpiperidine.

Molecular Properties

Compound Name3-(4-ethylphenyl)-5-prop-2-enylpiperidine
PubChem CID167080850
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name3-(4-ethylphenyl)-5-prop-2-enylpiperidine
SMILESC=CCC1CNCC(c2ccc(CC)cc2)C1
InChIInChI=1S/C16H23N/c1-3-5-14-10-16(12-17-11-14)15-8-6-13(4-2)7-9-15/h3,6-9,14,16-17H,1,4-5,10-12H2,2H3
InChIKeyNWXFOEGJLASYPU-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.52
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-(4-ethylphenyl)-5-prop-2-enylpiperidine?
The IUPAC name of 3-(4-ethylphenyl)-5-prop-2-enylpiperidine (CID 167080850) is 3-(4-ethylphenyl)-5-prop-2-enylpiperidine.
What is the SMILES notation for 3-(4-ethylphenyl)-5-prop-2-enylpiperidine?
The canonical SMILES for 3-(4-ethylphenyl)-5-prop-2-enylpiperidine is C=CCC1CNCC(c2ccc(CC)cc2)C1.
What is the InChIKey of 3-(4-ethylphenyl)-5-prop-2-enylpiperidine?
The InChIKey is NWXFOEGJLASYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-3-5-14-10-16(12-17-11-14)15-8-6-13(4-2)7-9-15/h3,6-9,14,16-17H,1,4-5,10-12H2,2H3.
What are the key properties of 3-(4-ethylphenyl)-5-prop-2-enylpiperidine?
3-(4-ethylphenyl)-5-prop-2-enylpiperidine has a molecular weight of 229.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-5-prop-2-enylpiperidine is sourced from PubChem (CID 167080850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).