1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

C9H12F6N2O — CID 103308956

IUPAC1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESNC1CCCN(C(=O)C(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C9H12F6N2O/c10-8(11,12)6(9(13,14)15)7(18)17-3-1-2-5(16)4-17/h5-6H,1-4,16H2
InChIKeyAWVOEDULGILSJZ-UHFFFAOYSA-N
MW278.20 g/mol
LogP1.68
Rot. Bonds1

About 1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (PubChem CID 103308956) has the molecular formula C9H12F6N2O and a molecular weight of 278.20 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
PubChem CID103308956
Molecular FormulaC9H12F6N2O
Molecular Weight278.20 g/mol
Exact Mass278.09
IUPAC Name1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESNC1CCCN(C(=O)C(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C9H12F6N2O/c10-8(11,12)6(9(13,14)15)7(18)17-3-1-2-5(16)4-17/h5-6H,1-4,16H2
InChIKeyAWVOEDULGILSJZ-UHFFFAOYSA-N
XLogP1.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride
CID 119377592
3,3,3-trifluoro-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one
CID 103310164
1-(4-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103308950
1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one
CID 165442334
1-(3-amino-4-methylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103310372
methyl (3S)-1-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperidine-3-carboxylate
CID 103310501
1-[3-(2-chloroethyl)pyrrolidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103311097
2-(3-aminopiperidine-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116536813
3,3,3-trifluoro-1-(3-hydroxyazetidin-1-yl)-2-(trifluoromethyl)propan-1-one
CID 103310173
1-[(3S)-3-aminopyrrolidin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride
CID 119934179
3,3,3-trifluoro-1-[3-(propylamino)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one
CID 103308959
(3-aminopiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 79161440

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (CID 103308956) is 1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is NC1CCCN(C(=O)C(C(F)(F)F)C(F)(F)F)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The InChIKey is AWVOEDULGILSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6N2O/c10-8(11,12)6(9(13,14)15)7(18)17-3-1-2-5(16)4-17/h5-6H,1-4,16H2.
What are the key properties of 1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one has a molecular weight of 278.20 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 103308956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).