2-(4,4-dimethylpiperidin-1-yl)-1,1,1-trifluoropentan-3-amine

C12H23F3N2 — CID 62935989

IUPAC2-(4,4-dimethylpiperidin-1-yl)-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(N1CCC(C)(C)CC1)C(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-4-9(16)10(12(13,14)15)17-7-5-11(2,3)6-8-17/h9-10H,4-8,16H2,1-3H3
InChIKeyQPJRUOAINJWSNX-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.78
Rot. Bonds3

About 2-(4,4-dimethylpiperidin-1-yl)-1,1,1-trifluoropentan-3-amine

2-(4,4-dimethylpiperidin-1-yl)-1,1,1-trifluoropentan-3-amine (PubChem CID 62935989) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)-1,1,1-trifluoropentan-3-amine.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)-1,1,1-trifluoropentan-3-amine
PubChem CID62935989
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(N1CCC(C)(C)CC1)C(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-4-9(16)10(12(13,14)15)17-7-5-11(2,3)6-8-17/h9-10H,4-8,16H2,1-3H3
InChIKeyQPJRUOAINJWSNX-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4,4-dimethylpiperidin-1-yl)-1,1,1-trifluoropentan-3-amine 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 2-(4,4-dimethylpiperidin-1-yl)-1,1,1-trifluoropentan-3-amine?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-1,1,1-trifluoropentan-3-amine (CID 62935989) is 2-(4,4-dimethylpiperidin-1-yl)-1,1,1-trifluoropentan-3-amine.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)-1,1,1-trifluoropentan-3-amine?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)-1,1,1-trifluoropentan-3-amine is CCC(N)C(N1CCC(C)(C)CC1)C(F)(F)F.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)-1,1,1-trifluoropentan-3-amine?
The InChIKey is QPJRUOAINJWSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-4-9(16)10(12(13,14)15)17-7-5-11(2,3)6-8-17/h9-10H,4-8,16H2,1-3H3.
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)-1,1,1-trifluoropentan-3-amine?
2-(4,4-dimethylpiperidin-1-yl)-1,1,1-trifluoropentan-3-amine has a molecular weight of 252.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)-1,1,1-trifluoropentan-3-amine is sourced from PubChem (CID 62935989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).