2-phenyl-4-[2-(1-prop-2-enylpiperidin-3-yl)ethyl]quinoline

C25H28N2 — CID 12799889

IUPAC2-phenyl-4-[2-(1-prop-2-enylpiperidin-3-yl)ethyl]quinoline
SMILESC=CCN1CCCC(CCc2cc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C25H28N2/c1-2-16-27-17-8-9-20(19-27)14-15-22-18-25(21-10-4-3-5-11-21)26-24-13-7-6-12-23(22)24/h2-7,10-13,18,20H,1,8-9,14-17,19H2
InChIKeyGHOFFKAGUIMIGX-UHFFFAOYSA-N
MW356.51 g/mol
LogP5.73
Rot. Bonds6

About 2-phenyl-4-[2-(1-prop-2-enylpiperidin-3-yl)ethyl]quinoline

2-phenyl-4-[2-(1-prop-2-enylpiperidin-3-yl)ethyl]quinoline (PubChem CID 12799889) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-phenyl-4-[2-(1-prop-2-enylpiperidin-3-yl)ethyl]quinoline.

Molecular Properties

Compound Name2-phenyl-4-[2-(1-prop-2-enylpiperidin-3-yl)ethyl]quinoline
PubChem CID12799889
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC Name2-phenyl-4-[2-(1-prop-2-enylpiperidin-3-yl)ethyl]quinoline
SMILESC=CCN1CCCC(CCc2cc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C25H28N2/c1-2-16-27-17-8-9-20(19-27)14-15-22-18-25(21-10-4-3-5-11-21)26-24-13-7-6-12-23(22)24/h2-7,10-13,18,20H,1,8-9,14-17,19H2
InChIKeyGHOFFKAGUIMIGX-UHFFFAOYSA-N
XLogP5.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.73
H-Bond Donors ≤ 50
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 2-phenyl-4-[2-(1-prop-2-enylpiperidin-3-yl)ethyl]quinoline?
The IUPAC name of 2-phenyl-4-[2-(1-prop-2-enylpiperidin-3-yl)ethyl]quinoline (CID 12799889) is 2-phenyl-4-[2-(1-prop-2-enylpiperidin-3-yl)ethyl]quinoline.
What is the SMILES notation for 2-phenyl-4-[2-(1-prop-2-enylpiperidin-3-yl)ethyl]quinoline?
The canonical SMILES for 2-phenyl-4-[2-(1-prop-2-enylpiperidin-3-yl)ethyl]quinoline is C=CCN1CCCC(CCc2cc(-c3ccccc3)nc3ccccc23)C1.
What is the InChIKey of 2-phenyl-4-[2-(1-prop-2-enylpiperidin-3-yl)ethyl]quinoline?
The InChIKey is GHOFFKAGUIMIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2/c1-2-16-27-17-8-9-20(19-27)14-15-22-18-25(21-10-4-3-5-11-21)26-24-13-7-6-12-23(22)24/h2-7,10-13,18,20H,1,8-9,14-17,19H2.
What are the key properties of 2-phenyl-4-[2-(1-prop-2-enylpiperidin-3-yl)ethyl]quinoline?
2-phenyl-4-[2-(1-prop-2-enylpiperidin-3-yl)ethyl]quinoline has a molecular weight of 356.51 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[2-(1-prop-2-enylpiperidin-3-yl)ethyl]quinoline is sourced from PubChem (CID 12799889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).