3-ethoxy-2,2-dimethyl-1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine

C15H27F3N2O — CID 114830665

IUPAC3-ethoxy-2,2-dimethyl-1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CN2CCC(C(F)(F)F)CC2)C1(C)C
InChIInChI=1S/C15H27F3N2O/c1-4-21-12-9-14(19,13(12,2)3)10-20-7-5-11(6-8-20)15(16,17)18/h11-12H,4-10,19H2,1-3H3
InChIKeyNONYKQPJJTZJFP-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.79
Rot. Bonds4

About 3-ethoxy-2,2-dimethyl-1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine (PubChem CID 114830665) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine
PubChem CID114830665
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name3-ethoxy-2,2-dimethyl-1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CN2CCC(C(F)(F)F)CC2)C1(C)C
InChIInChI=1S/C15H27F3N2O/c1-4-21-12-9-14(19,13(12,2)3)10-20-7-5-11(6-8-20)15(16,17)18/h11-12H,4-10,19H2,1-3H3
InChIKeyNONYKQPJJTZJFP-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine (CID 114830665) is 3-ethoxy-2,2-dimethyl-1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine is CCOC1CC(N)(CN2CCC(C(F)(F)F)CC2)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine?
The InChIKey is NONYKQPJJTZJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-4-21-12-9-14(19,13(12,2)3)10-20-7-5-11(6-8-20)15(16,17)18/h11-12H,4-10,19H2,1-3H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine has a molecular weight of 308.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 114830665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).