2-(2,6-dimethylidenepiperidin-3-yl)-5-fluoro-1,3-dimethylideneisoindole

C17H17FN2 — CID 170056011

IUPAC2-(2,6-dimethylidenepiperidin-3-yl)-5-fluoro-1,3-dimethylideneisoindole
SMILESC=C1CCC(n2c(=C)c3ccc(F)cc3c2=C)C(=C)N1
InChIInChI=1S/C17H17FN2/c1-10-5-8-17(11(2)19-10)20-12(3)15-7-6-14(18)9-16(15)13(20)4/h6-7,9,17,19H,1-5,8H2
InChIKeyPSEXWQDOYVEVQP-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.55
Rot. Bonds1

About 2-(2,6-dimethylidenepiperidin-3-yl)-5-fluoro-1,3-dimethylideneisoindole

2-(2,6-dimethylidenepiperidin-3-yl)-5-fluoro-1,3-dimethylideneisoindole (PubChem CID 170056011) has the molecular formula C17H17FN2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-(2,6-dimethylidenepiperidin-3-yl)-5-fluoro-1,3-dimethylideneisoindole.

Molecular Properties

Compound Name2-(2,6-dimethylidenepiperidin-3-yl)-5-fluoro-1,3-dimethylideneisoindole
PubChem CID170056011
Molecular FormulaC17H17FN2
Molecular Weight268.33 g/mol
Exact Mass268.14
IUPAC Name2-(2,6-dimethylidenepiperidin-3-yl)-5-fluoro-1,3-dimethylideneisoindole
SMILESC=C1CCC(n2c(=C)c3ccc(F)cc3c2=C)C(=C)N1
InChIInChI=1S/C17H17FN2/c1-10-5-8-17(11(2)19-10)20-12(3)15-7-6-14(18)9-16(15)13(20)4/h6-7,9,17,19H,1-5,8H2
InChIKeyPSEXWQDOYVEVQP-UHFFFAOYSA-N
XLogP2.55
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylidenepiperidin-3-yl)-5-fluoro-1,3-dimethylideneisoindole?
The IUPAC name of 2-(2,6-dimethylidenepiperidin-3-yl)-5-fluoro-1,3-dimethylideneisoindole (CID 170056011) is 2-(2,6-dimethylidenepiperidin-3-yl)-5-fluoro-1,3-dimethylideneisoindole.
What is the SMILES notation for 2-(2,6-dimethylidenepiperidin-3-yl)-5-fluoro-1,3-dimethylideneisoindole?
The canonical SMILES for 2-(2,6-dimethylidenepiperidin-3-yl)-5-fluoro-1,3-dimethylideneisoindole is C=C1CCC(n2c(=C)c3ccc(F)cc3c2=C)C(=C)N1.
What is the InChIKey of 2-(2,6-dimethylidenepiperidin-3-yl)-5-fluoro-1,3-dimethylideneisoindole?
The InChIKey is PSEXWQDOYVEVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c1-10-5-8-17(11(2)19-10)20-12(3)15-7-6-14(18)9-16(15)13(20)4/h6-7,9,17,19H,1-5,8H2.
What are the key properties of 2-(2,6-dimethylidenepiperidin-3-yl)-5-fluoro-1,3-dimethylideneisoindole?
2-(2,6-dimethylidenepiperidin-3-yl)-5-fluoro-1,3-dimethylideneisoindole has a molecular weight of 268.33 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylidenepiperidin-3-yl)-5-fluoro-1,3-dimethylideneisoindole is sourced from PubChem (CID 170056011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).