7,7-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

C15H25F3N2O — CID 114948113

IUPAC7,7-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C2OCCC2C1(N)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H25F3N2O/c1-13(2)12-11(5-7-21-12)14(13,19)9-20-6-3-4-10(8-20)15(16,17)18/h10-12H,3-9,19H2,1-2H3
InChIKeyJHOYIUJFEAGHKT-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.40
Rot. Bonds2

About 7,7-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 114948113) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is 7,7-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID114948113
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name7,7-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C2OCCC2C1(N)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H25F3N2O/c1-13(2)12-11(5-7-21-12)14(13,19)9-20-6-3-4-10(8-20)15(16,17)18/h10-12H,3-9,19H2,1-2H3
InChIKeyJHOYIUJFEAGHKT-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7,7-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine with MolForge

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Related Compounds

7,7-Dimethyl-6-[(4,4,4-trifluorobutan-2-ylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 105946052
7,7-Dimethyl-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 106219226
7,7-Dimethyl-6-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 106293673
6-[[2,2-Difluoroethyl(methyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 113654471
3-Ethoxy-2,2-dimethyl-1-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine
CID 114830664
3-Ethoxy-2,2-dimethyl-1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine
CID 114830665
8,8-Dimethyl-7-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947344
7,7-Dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947346
7,7-Dimethyl-6-[(2,2,2-trifluoroethylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947442
7-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947717
6-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947718
6-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947731

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (CID 114948113) is 7,7-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)C2OCCC2C1(N)CN1CCCC(C(F)(F)F)C1.
What is the InChIKey of 7,7-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is JHOYIUJFEAGHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-13(2)12-11(5-7-21-12)14(13,19)9-20-6-3-4-10(8-20)15(16,17)18/h10-12H,3-9,19H2,1-2H3.
What are the key properties of 7,7-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 306.37 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 114948113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).