1-(2,6-dimethylpiperidin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one

C14H15F12NO — CID 3506780

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one
SMILESCC1CCCC(C)N1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H15F12NO/c1-6-4-3-5-7(2)27(6)9(28)11(19,20)13(23,24)14(25,26)12(21,22)10(17,18)8(15)16/h6-8H,3-5H2,1-2H3
InChIKeyVYOCAAZIGCQVFK-UHFFFAOYSA-N
MW441.26 g/mol
LogP5.22
Rot. Bonds6

About 1-(2,6-dimethylpiperidin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one

1-(2,6-dimethylpiperidin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one (PubChem CID 3506780) has the molecular formula C14H15F12NO and a molecular weight of 441.26 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one
PubChem CID3506780
Molecular FormulaC14H15F12NO
Molecular Weight441.26 g/mol
Exact Mass441.10
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one
SMILESCC1CCCC(C)N1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H15F12NO/c1-6-4-3-5-7(2)27(6)9(28)11(19,20)13(23,24)14(25,26)12(21,22)10(17,18)8(15)16/h6-8H,3-5H2,1-2H3
InChIKeyVYOCAAZIGCQVFK-UHFFFAOYSA-N
XLogP5.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.26
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,6-dimethylpiperidin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one with MolForge

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Related Compounds

N,N-Diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 2748487
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-1-piperidin-1-yloctan-1-one
CID 15164363
Heptanamide, N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-
CID 4379511
2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-(4-methylpiperazin-1-yl)heptan-1-one
CID 5210023
2,2,2-Trifluoro-1-(cis-3-fluoro-2-methylpiperidin-1-yl)ethan-1-one
CID 134827886
2,2,2-Trifluoro-1-(cis-5-fluoro-2-methylpiperidin-1-yl)ethan-1-one
CID 134827919
1-(2-Methylpiperidin-1-yl)octan-1-one
CID 303110
N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 14419739
N-cyclohexyl-N-(trifluoromethyl)octanamide
CID 44550874
1,1-Dimethyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-trideca-fluoroenanthyl)piperazinium iodide
CID 129761752
2,2,2-Trifluoro-1-(cis-4-fluoro-2-methylpiperidin-1-yl)ethan-1-one
CID 134827917
2,2,2-Trifluoro-1-(cis-5-fluoro-2-(trifluoromethyl)piperidin-1-yl)ethan-1-one
CID 134827940

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one (CID 3506780) is 1-(2,6-dimethylpiperidin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one is CC1CCCC(C)N1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one?
The InChIKey is VYOCAAZIGCQVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F12NO/c1-6-4-3-5-7(2)27(6)9(28)11(19,20)13(23,24)14(25,26)12(21,22)10(17,18)8(15)16/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one?
1-(2,6-dimethylpiperidin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one has a molecular weight of 441.26 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one is sourced from PubChem (CID 3506780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).