3-phenoxy-5-[(E)-2-piperidin-4-ylethenyl]pyridine

C18H20N2O — CID 10016526

IUPAC3-phenoxy-5-[(E)-2-piperidin-4-ylethenyl]pyridine
SMILESC(=C/C1CCNCC1)\c1cncc(Oc2ccccc2)c1
InChIInChI=1S/C18H20N2O/c1-2-4-17(5-3-1)21-18-12-16(13-20-14-18)7-6-15-8-10-19-11-9-15/h1-7,12-15,19H,8-11H2/b7-6+
InChIKeyPMHNHYVGPBHVLU-VOTSOKGWSA-N
MW280.37 g/mol
LogP3.89
Rot. Bonds4

About 3-phenoxy-5-[(E)-2-piperidin-4-ylethenyl]pyridine

3-phenoxy-5-[(E)-2-piperidin-4-ylethenyl]pyridine (PubChem CID 10016526) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-phenoxy-5-[(E)-2-piperidin-4-ylethenyl]pyridine.

Molecular Properties

Compound Name3-phenoxy-5-[(E)-2-piperidin-4-ylethenyl]pyridine
PubChem CID10016526
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-phenoxy-5-[(E)-2-piperidin-4-ylethenyl]pyridine
SMILESC(=C/C1CCNCC1)\c1cncc(Oc2ccccc2)c1
InChIInChI=1S/C18H20N2O/c1-2-4-17(5-3-1)21-18-12-16(13-20-14-18)7-6-15-8-10-19-11-9-15/h1-7,12-15,19H,8-11H2/b7-6+
InChIKeyPMHNHYVGPBHVLU-VOTSOKGWSA-N
XLogP3.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-phenoxy-5-[(E)-2-piperidin-4-ylethenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-5-[(E)-2-piperidin-4-ylethenyl]pyridine?
The IUPAC name of 3-phenoxy-5-[(E)-2-piperidin-4-ylethenyl]pyridine (CID 10016526) is 3-phenoxy-5-[(E)-2-piperidin-4-ylethenyl]pyridine.
What is the SMILES notation for 3-phenoxy-5-[(E)-2-piperidin-4-ylethenyl]pyridine?
The canonical SMILES for 3-phenoxy-5-[(E)-2-piperidin-4-ylethenyl]pyridine is C(=C/C1CCNCC1)\c1cncc(Oc2ccccc2)c1.
What is the InChIKey of 3-phenoxy-5-[(E)-2-piperidin-4-ylethenyl]pyridine?
The InChIKey is PMHNHYVGPBHVLU-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-4-17(5-3-1)21-18-12-16(13-20-14-18)7-6-15-8-10-19-11-9-15/h1-7,12-15,19H,8-11H2/b7-6+.
What are the key properties of 3-phenoxy-5-[(E)-2-piperidin-4-ylethenyl]pyridine?
3-phenoxy-5-[(E)-2-piperidin-4-ylethenyl]pyridine has a molecular weight of 280.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-5-[(E)-2-piperidin-4-ylethenyl]pyridine is sourced from PubChem (CID 10016526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).