1-(4-tert-butylpiperidin-1-yl)-2,2,2-trifluoroethanone

C11H18F3NO — CID 58756869

IUPAC1-(4-tert-butylpiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESCC(C)(C)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO/c1-10(2,3)8-4-6-15(7-5-8)9(16)11(12,13)14/h8H,4-7H2,1-3H3
InChIKeyOVCRCUWHCIGNFC-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.83
Rot. Bonds

About 1-(4-tert-butylpiperidin-1-yl)-2,2,2-trifluoroethanone

1-(4-tert-butylpiperidin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 58756869) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(4-tert-butylpiperidin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4-tert-butylpiperidin-1-yl)-2,2,2-trifluoroethanone
PubChem CID58756869
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name1-(4-tert-butylpiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESCC(C)(C)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO/c1-10(2,3)8-4-6-15(7-5-8)9(16)11(12,13)14/h8H,4-7H2,1-3H3
InChIKeyOVCRCUWHCIGNFC-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-tert-butylpiperidin-1-yl)-2,2,2-trifluoroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-2,2,2-trifluoroethanone (CID 58756869) is 1-(4-tert-butylpiperidin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4-tert-butylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4-tert-butylpiperidin-1-yl)-2,2,2-trifluoroethanone is CC(C)(C)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-(4-tert-butylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is OVCRCUWHCIGNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-10(2,3)8-4-6-15(7-5-8)9(16)11(12,13)14/h8H,4-7H2,1-3H3.
What are the key properties of 1-(4-tert-butylpiperidin-1-yl)-2,2,2-trifluoroethanone?
1-(4-tert-butylpiperidin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 237.26 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperidin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 58756869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).