(5E)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine

C19H27FN2 — CID 166954513

IUPAC(5E)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine
SMILESC=C/C=C\C=C1\C=NC(C2CCN(CC(C)(C)F)CC2)=CC1
InChIInChI=1S/C19H27FN2/c1-4-5-6-7-16-8-9-18(21-14-16)17-10-12-22(13-11-17)15-19(2,3)20/h4-7,9,14,17H,1,8,10-13,15H2,2-3H3/b6-5-,16-7+
InChIKeyBBESVNZHABTCNW-DKPKDLPHSA-N
MW302.44 g/mol
LogP4.47
Rot. Bonds5

About (5E)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine

(5E)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine (PubChem CID 166954513) has the molecular formula C19H27FN2 and a molecular weight of 302.44 g/mol. Its IUPAC name is (5E)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine.

Molecular Properties

Compound Name(5E)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine
PubChem CID166954513
Molecular FormulaC19H27FN2
Molecular Weight302.44 g/mol
Exact Mass302.22
IUPAC Name(5E)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine
SMILESC=C/C=C\C=C1\C=NC(C2CCN(CC(C)(C)F)CC2)=CC1
InChIInChI=1S/C19H27FN2/c1-4-5-6-7-16-8-9-18(21-14-16)17-10-12-22(13-11-17)15-19(2,3)20/h4-7,9,14,17H,1,8,10-13,15H2,2-3H3/b6-5-,16-7+
InChIKeyBBESVNZHABTCNW-DKPKDLPHSA-N
XLogP4.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine?
The IUPAC name of (5E)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine (CID 166954513) is (5E)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine.
What is the SMILES notation for (5E)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine?
The canonical SMILES for (5E)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine is C=C/C=C\C=C1\C=NC(C2CCN(CC(C)(C)F)CC2)=CC1.
What is the InChIKey of (5E)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine?
The InChIKey is BBESVNZHABTCNW-DKPKDLPHSA-N. The full InChI is InChI=1S/C19H27FN2/c1-4-5-6-7-16-8-9-18(21-14-16)17-10-12-22(13-11-17)15-19(2,3)20/h4-7,9,14,17H,1,8,10-13,15H2,2-3H3/b6-5-,16-7+.
What are the key properties of (5E)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine?
(5E)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine has a molecular weight of 302.44 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine is sourced from PubChem (CID 166954513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).