1-(2,3-dimethylpiperidin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one

C10H14F5NO — CID 114038145

IUPAC1-(2,3-dimethylpiperidin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one
SMILESCC1CCCN(C(=O)C(F)(F)C(F)(F)F)C1C
InChIInChI=1S/C10H14F5NO/c1-6-4-3-5-16(7(6)2)8(17)9(11,12)10(13,14)15/h6-7H,3-5H2,1-2H3
InChIKeyFLXQAYKMQRSJNO-UHFFFAOYSA-N
MW259.22 g/mol
LogP2.83
Rot. Bonds1

About 1-(2,3-dimethylpiperidin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one

1-(2,3-dimethylpiperidin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one (PubChem CID 114038145) has the molecular formula C10H14F5NO and a molecular weight of 259.22 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperidin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one.

Molecular Properties

Compound Name1-(2,3-dimethylpiperidin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one
PubChem CID114038145
Molecular FormulaC10H14F5NO
Molecular Weight259.22 g/mol
Exact Mass259.10
IUPAC Name1-(2,3-dimethylpiperidin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one
SMILESCC1CCCN(C(=O)C(F)(F)C(F)(F)F)C1C
InChIInChI=1S/C10H14F5NO/c1-6-4-3-5-16(7(6)2)8(17)9(11,12)10(13,14)15/h6-7H,3-5H2,1-2H3
InChIKeyFLXQAYKMQRSJNO-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-(2,3-dimethylpiperidin-1-yl)-2,2,3,3,3-pentafluoropropan-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-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2,2,3,3,3-pentafluoropropan-1-one
CID 114038039
1-(2,3-dimethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 79005743
(2S)-1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl chloride
CID 54033998
2-(aminomethyl)-1-(2,3-dimethylpiperidin-1-yl)-2-propylpentan-1-one
CID 62124809
2,3-dimethylpiperidine-1-carbonyl chloride
CID 79886901
2,2,2-trifluoro-1-(3-fluoro-2-methylpiperidin-1-yl)ethanone
CID 134827886
1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 64591825
(2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 115665198
(2R,3S)-2-methyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylic acid
CID 175654063
2-amino-1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 62123034
(2,3-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908807
2-[(2,3-dimethylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266286

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperidin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one?
The IUPAC name of 1-(2,3-dimethylpiperidin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one (CID 114038145) is 1-(2,3-dimethylpiperidin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one.
What is the SMILES notation for 1-(2,3-dimethylpiperidin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one?
The canonical SMILES for 1-(2,3-dimethylpiperidin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one is CC1CCCN(C(=O)C(F)(F)C(F)(F)F)C1C.
What is the InChIKey of 1-(2,3-dimethylpiperidin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one?
The InChIKey is FLXQAYKMQRSJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F5NO/c1-6-4-3-5-16(7(6)2)8(17)9(11,12)10(13,14)15/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(2,3-dimethylpiperidin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one?
1-(2,3-dimethylpiperidin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one has a molecular weight of 259.22 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperidin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one is sourced from PubChem (CID 114038145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).