2-(3,3-difluorocyclohexyl)-1-(4-methylpiperidin-4-yl)ethanone

C14H23F2NO — CID 114225554

IUPAC2-(3,3-difluorocyclohexyl)-1-(4-methylpiperidin-4-yl)ethanone
SMILESCC1(C(=O)CC2CCCC(F)(F)C2)CCNCC1
InChIInChI=1S/C14H23F2NO/c1-13(5-7-17-8-6-13)12(18)9-11-3-2-4-14(15,16)10-11/h11,17H,2-10H2,1H3
InChIKeyGSUGMLBHGQPFSR-UHFFFAOYSA-N
MW259.34 g/mol
LogP3.16
Rot. Bonds3

About 2-(3,3-difluorocyclohexyl)-1-(4-methylpiperidin-4-yl)ethanone

2-(3,3-difluorocyclohexyl)-1-(4-methylpiperidin-4-yl)ethanone (PubChem CID 114225554) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-1-(4-methylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-1-(4-methylpiperidin-4-yl)ethanone
PubChem CID114225554
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name2-(3,3-difluorocyclohexyl)-1-(4-methylpiperidin-4-yl)ethanone
SMILESCC1(C(=O)CC2CCCC(F)(F)C2)CCNCC1
InChIInChI=1S/C14H23F2NO/c1-13(5-7-17-8-6-13)12(18)9-11-3-2-4-14(15,16)10-11/h11,17H,2-10H2,1H3
InChIKeyGSUGMLBHGQPFSR-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,3-difluorocyclohexyl)-1-(4-methylpiperidin-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

3-Azaspiro[5.5]undecan-9-one hydrochloride
CID 67315842
3-Azaspiro[5.5]undecan-8-one
CID 59929925
N-tert-butyl-4-(4,4-difluorocyclohexyl)piperidine-4-carboxamide
CID 23388588
3-Azaspiro[5.5]undecan-9-one
CID 59047399
1-(4-Fluoropiperidin-4-yl)hexan-1-one
CID 66633547
2,2-Dimethyl-1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one
CID 121368340
3,3-Difluoro-8-azaspiro[4.5]decan-4-one
CID 123230688
N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-9-carboxamide
CID 142739320
1-[4-(2,2-Difluoroethyl)piperidin-4-yl]-2-methylpropan-1-one
CID 146551408
2-Methyl-1-[3-(trifluoromethyl)piperidin-3-yl]propan-1-one
CID 146551445
1-[3-(2,2-Difluoroethyl)piperidin-3-yl]-2-methylpropan-1-one
CID 146551836
1,1,1-Trifluoro-3-(4-methylpiperidin-3-yl)propan-2-one
CID 147887564

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(4-methylpiperidin-4-yl)ethanone?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(4-methylpiperidin-4-yl)ethanone (CID 114225554) is 2-(3,3-difluorocyclohexyl)-1-(4-methylpiperidin-4-yl)ethanone.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-1-(4-methylpiperidin-4-yl)ethanone?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-1-(4-methylpiperidin-4-yl)ethanone is CC1(C(=O)CC2CCCC(F)(F)C2)CCNCC1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-1-(4-methylpiperidin-4-yl)ethanone?
The InChIKey is GSUGMLBHGQPFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c1-13(5-7-17-8-6-13)12(18)9-11-3-2-4-14(15,16)10-11/h11,17H,2-10H2,1H3.
What are the key properties of 2-(3,3-difluorocyclohexyl)-1-(4-methylpiperidin-4-yl)ethanone?
2-(3,3-difluorocyclohexyl)-1-(4-methylpiperidin-4-yl)ethanone has a molecular weight of 259.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-1-(4-methylpiperidin-4-yl)ethanone is sourced from PubChem (CID 114225554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).