1-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]ethanone

C14H21F2NO2 — CID 58356059

IUPAC1-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(C(=O)C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C14H21F2NO2/c1-10(18)11-4-8-17(9-5-11)13(19)12-2-6-14(15,16)7-3-12/h11-12H,2-9H2,1H3
InChIKeySGLHWSXNNZOXDF-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.64
Rot. Bonds2

About 1-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]ethanone

1-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]ethanone (PubChem CID 58356059) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]ethanone
PubChem CID58356059
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name1-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(C(=O)C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C14H21F2NO2/c1-10(18)11-4-8-17(9-5-11)13(19)12-2-6-14(15,16)7-3-12/h11-12H,2-9H2,1H3
InChIKeySGLHWSXNNZOXDF-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]ethanone 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

Piperidine, 1-(cyclohexylcarbonyl)-3-methyl-
CID 2915080
[(1R,3S)-3-fluorocyclohexyl]-(4-methylpiperazin-1-yl)methanone
CID 129349019
(1S)-N-but-2-ynyl-3,3-difluoro-N-methylcyclohexane-1-carboxamide
CID 125144320
Piperidine, 1-(cyclohexylcarbonyl)-4-methyl-
CID 3047154
Cyclohexanecarbonyl-dipropyl-(trifluoromethyl)azanium
CID 21738643
Cyclohexanecarbonyl-dipentyl-(trifluoromethyl)azanium
CID 54379583
1-[4-(4,4-Difluoropiperidine-1-carbonyl)cyclohexyl]ethanone
CID 58356066
1-[1-(3,3-Difluorocyclobutanecarbonyl)piperidin-4-yl]ethanone
CID 58356170
(3-Tert-butylpiperidin-1-yl)-(4,4-difluorocyclohexyl)methanone
CID 58564024
1-[1-(4-Fluorocyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 71090478
(4,4-Difluorocyclohexyl)-piperidin-1-ylmethanone
CID 81932447
(4,4-Difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone
CID 91070510

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]ethanone (CID 58356059) is 1-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]ethanone is CC(=O)C1CCN(C(=O)C2CCC(F)(F)CC2)CC1.
What is the InChIKey of 1-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]ethanone?
The InChIKey is SGLHWSXNNZOXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-10(18)11-4-8-17(9-5-11)13(19)12-2-6-14(15,16)7-3-12/h11-12H,2-9H2,1H3.
What are the key properties of 1-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]ethanone?
1-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]ethanone has a molecular weight of 273.32 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 58356059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).