2-(4-fluorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane

C12H15FN2 — CID 90325892

IUPAC2-(4-fluorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane
SMILESCN1CC2(C1)CN(c1ccc(F)cc1)C2
InChIInChI=1S/C12H15FN2/c1-14-6-12(7-14)8-15(9-12)11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3
InChIKeyPXCIYIOSGJYGPZ-UHFFFAOYSA-N
MW206.26 g/mol
LogP1.58
Rot. Bonds1

About 2-(4-fluorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane

2-(4-fluorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane (PubChem CID 90325892) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane
PubChem CID90325892
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name2-(4-fluorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane
SMILESCN1CC2(C1)CN(c1ccc(F)cc1)C2
InChIInChI=1S/C12H15FN2/c1-14-6-12(7-14)8-15(9-12)11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3
InChIKeyPXCIYIOSGJYGPZ-UHFFFAOYSA-N
XLogP1.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-(4-fluorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane (CID 90325892) is 2-(4-fluorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-(4-fluorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-(4-fluorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane is CN1CC2(C1)CN(c1ccc(F)cc1)C2.
What is the InChIKey of 2-(4-fluorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane?
The InChIKey is PXCIYIOSGJYGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-14-6-12(7-14)8-15(9-12)11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane?
2-(4-fluorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane has a molecular weight of 206.26 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 90325892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).