cyclohexyl-(4,4-difluoropiperidin-1-yl)methanone

C12H19F2NO — CID 121020689

IUPACcyclohexyl-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CCC(F)(F)CC1
InChIInChI=1S/C12H19F2NO/c13-12(14)6-8-15(9-7-12)11(16)10-4-2-1-3-5-10/h10H,1-9H2
InChIKeyYVKNECXAZQGXSN-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.82
Rot. Bonds1

About cyclohexyl-(4,4-difluoropiperidin-1-yl)methanone

cyclohexyl-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 121020689) has the molecular formula C12H19F2NO and a molecular weight of 231.29 g/mol. Its IUPAC name is cyclohexyl-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID121020689
Molecular FormulaC12H19F2NO
Molecular Weight231.29 g/mol
Exact Mass231.14
IUPAC Namecyclohexyl-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CCC(F)(F)CC1
InChIInChI=1S/C12H19F2NO/c13-12(14)6-8-15(9-7-12)11(16)10-4-2-1-3-5-10/h10H,1-9H2
InChIKeyYVKNECXAZQGXSN-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze cyclohexyl-(4,4-difluoropiperidin-1-yl)methanone 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

Pexantel
CID 667497
Piperidine, 1-(cyclohexylcarbonyl)-2,6-dimethyl-
CID 199799
Cyclohexanecarboxamide, N,N-dipropyl-
CID 152793
Cyclohexyl(2-methylpiperidin-1-yl)methanone
CID 558510
Cyclohexanecarboxamide, N,N-diethyl-
CID 94872
Piperidine, 1-(cyclohexylcarbonyl)-3-methyl-
CID 2915080
1-Cyclohexanecarbonyl-4-ethylpiperazine
CID 798754
1-Cyclohexylcarbonyl-2-ethylpiperidine
CID 2915910
Piperidine, 1-(cyclohexylcarbonyl)-
CID 12760854
Cyclohexanecarboxamide, N,N-dibutyl-
CID 533209
Piperidine, 3-methyl-1-((2-methylcyclohexyl)carbonyl)-
CID 3049059
9-Cyclohexyl-1-piperidin-1-ylnonan-1-one
CID 171354672

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of cyclohexyl-(4,4-difluoropiperidin-1-yl)methanone (CID 121020689) is cyclohexyl-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for cyclohexyl-(4,4-difluoropiperidin-1-yl)methanone is O=C(C1CCCCC1)N1CCC(F)(F)CC1.
What is the InChIKey of cyclohexyl-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is YVKNECXAZQGXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO/c13-12(14)6-8-15(9-7-12)11(16)10-4-2-1-3-5-10/h10H,1-9H2.
What are the key properties of cyclohexyl-(4,4-difluoropiperidin-1-yl)methanone?
cyclohexyl-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 231.29 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 121020689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).