cyclohexanone;3-(3,3-difluoroazetidin-1-yl)piperidine;methane

C15H28F2N2O — CID 167619773

IUPACcyclohexanone;3-(3,3-difluoroazetidin-1-yl)piperidine;methane
SMILESC.FC1(F)CN(C2CCCNC2)C1.O=C1CCCCC1
InChIInChI=1S/C8H14F2N2.C6H10O.CH4/c9-8(10)5-12(6-8)7-2-1-3-11-4-7;7-6-4-2-1-3-5-6;/h7,11H,1-6H2;1-5H2;1H4
InChIKeyMGSRTAIMKOTMQT-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.85
Rot. Bonds1

About cyclohexanone;3-(3,3-difluoroazetidin-1-yl)piperidine;methane

cyclohexanone;3-(3,3-difluoroazetidin-1-yl)piperidine;methane (PubChem CID 167619773) has the molecular formula C15H28F2N2O and a molecular weight of 290.40 g/mol. Its IUPAC name is cyclohexanone;3-(3,3-difluoroazetidin-1-yl)piperidine;methane.

Molecular Properties

Compound Namecyclohexanone;3-(3,3-difluoroazetidin-1-yl)piperidine;methane
PubChem CID167619773
Molecular FormulaC15H28F2N2O
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Namecyclohexanone;3-(3,3-difluoroazetidin-1-yl)piperidine;methane
SMILESC.FC1(F)CN(C2CCCNC2)C1.O=C1CCCCC1
InChIInChI=1S/C8H14F2N2.C6H10O.CH4/c9-8(10)5-12(6-8)7-2-1-3-11-4-7;7-6-4-2-1-3-5-6;/h7,11H,1-6H2;1-5H2;1H4
InChIKeyMGSRTAIMKOTMQT-UHFFFAOYSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-3-ylpiperidin-3-one
CID 90737318
4-(3,3-difluoroazetidin-1-yl)cyclohexan-1-one
CID 89330353
2-piperidin-3-yl-2-azaspiro[3.3]heptane
CID 79677674
3-(3,3-dimethoxyazetidin-1-yl)piperidine
CID 79678037
3,3-dimethyl-1-[(3R)-piperidin-3-yl]azetidin-2-one
CID 129450905
4-fluoro-1-piperidin-3-ylpiperidine
CID 115017121
1-piperidin-3-yl-1,3-diazinane-2,4-dione
CID 75607085
azacyclododecan-4-one
CID 142319560
4-piperidin-3-ylcyclohexan-1-one
CID 130987031
3-(3-methylazetidin-1-yl)piperidine
CID 79677319
2-piperidin-3-yloxazinan-3-one
CID 105441247
2-cyclopropyl-1-piperidin-3-ylpyrazolidin-3-one
CID 105463278

Frequently Asked Questions

What is the IUPAC name of cyclohexanone;3-(3,3-difluoroazetidin-1-yl)piperidine;methane?
The IUPAC name of cyclohexanone;3-(3,3-difluoroazetidin-1-yl)piperidine;methane (CID 167619773) is cyclohexanone;3-(3,3-difluoroazetidin-1-yl)piperidine;methane.
What is the SMILES notation for cyclohexanone;3-(3,3-difluoroazetidin-1-yl)piperidine;methane?
The canonical SMILES for cyclohexanone;3-(3,3-difluoroazetidin-1-yl)piperidine;methane is C.FC1(F)CN(C2CCCNC2)C1.O=C1CCCCC1.
What is the InChIKey of cyclohexanone;3-(3,3-difluoroazetidin-1-yl)piperidine;methane?
The InChIKey is MGSRTAIMKOTMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2.C6H10O.CH4/c9-8(10)5-12(6-8)7-2-1-3-11-4-7;7-6-4-2-1-3-5-6;/h7,11H,1-6H2;1-5H2;1H4.
What are the key properties of cyclohexanone;3-(3,3-difluoroazetidin-1-yl)piperidine;methane?
cyclohexanone;3-(3,3-difluoroazetidin-1-yl)piperidine;methane has a molecular weight of 290.40 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanone;3-(3,3-difluoroazetidin-1-yl)piperidine;methane is sourced from PubChem (CID 167619773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).