2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-piperidin-1-ylethanone

C15H26F3N3O — CID 75443707

IUPAC2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCC1(C)CN(CC(F)(F)F)CCN1CC(=O)N1CCCCC1
InChIInChI=1S/C15H26F3N3O/c1-14(2)11-19(12-15(16,17)18)8-9-21(14)10-13(22)20-6-4-3-5-7-20/h3-12H2,1-2H3
InChIKeyIBTHGJWWKMPGLV-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.96
Rot. Bonds3

About 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-piperidin-1-ylethanone

2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 75443707) has the molecular formula C15H26F3N3O and a molecular weight of 321.39 g/mol. Its IUPAC name is 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID75443707
Molecular FormulaC15H26F3N3O
Molecular Weight321.39 g/mol
Exact Mass321.20
IUPAC Name2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCC1(C)CN(CC(F)(F)F)CCN1CC(=O)N1CCCCC1
InChIInChI=1S/C15H26F3N3O/c1-14(2)11-19(12-15(16,17)18)8-9-21(14)10-13(22)20-6-4-3-5-7-20/h3-12H2,1-2H3
InChIKeyIBTHGJWWKMPGLV-UHFFFAOYSA-N
XLogP1.96
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-piperidin-1-ylethanone (CID 75443707) is 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-piperidin-1-ylethanone is CC1(C)CN(CC(F)(F)F)CCN1CC(=O)N1CCCCC1.
What is the InChIKey of 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is IBTHGJWWKMPGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O/c1-14(2)11-19(12-15(16,17)18)8-9-21(14)10-13(22)20-6-4-3-5-7-20/h3-12H2,1-2H3.
What are the key properties of 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 321.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 75443707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).