4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine;ethane

C16H27F2NO — CID 170614897

IUPAC4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine;ethane
SMILESCC.FC(F)(COCC1=CC=CCC1)C1CCNCC1
InChIInChI=1S/C14H21F2NO.C2H6/c15-14(16,13-6-8-17-9-7-13)11-18-10-12-4-2-1-3-5-12;1-2/h1-2,4,13,17H,3,5-11H2;1-2H3
InChIKeyRKVSXCKPAUECNB-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.94
Rot. Bonds5

About 4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine;ethane

4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine;ethane (PubChem CID 170614897) has the molecular formula C16H27F2NO and a molecular weight of 287.39 g/mol. Its IUPAC name is 4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine;ethane.

Molecular Properties

Compound Name4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine;ethane
PubChem CID170614897
Molecular FormulaC16H27F2NO
Molecular Weight287.39 g/mol
Exact Mass287.21
IUPAC Name4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine;ethane
SMILESCC.FC(F)(COCC1=CC=CCC1)C1CCNCC1
InChIInChI=1S/C14H21F2NO.C2H6/c15-14(16,13-6-8-17-9-7-13)11-18-10-12-4-2-1-3-5-12;1-2/h1-2,4,13,17H,3,5-11H2;1-2H3
InChIKeyRKVSXCKPAUECNB-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine;ethane 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

4-fluoro-4-[[(2E)-4-fluoro-2-(2-methylpropyl)penta-2,4-dienoxy]methyl]piperidine
CID 138516304
4-[[(2E)-2-ethyl-4-fluoropenta-2,4-dienoxy]methyl]-4-fluoropiperidine
CID 138516487
4-[[5-Methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]piperidine
CID 142853164
ethane;4-fluoro-4-methylpiperidine;(3Z,6Z)-2-methyl-9-[(2Z,4E)-4-(trifluoromethyl)hepta-2,4,6-trienoxy]undeca-1,3,6-triene
CID 177970971
4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine
CID 143759830
4-[[4-(2,2,3,3-Tetrafluoropropoxymethyl)cyclohexa-1,5-dien-1-yl]methoxy]piperidine
CID 162577750
4-[2-(Cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine
CID 170614898
4-[2-(1,3,4-Trimethylcyclohepta-2,4,6-trien-1-yl)oxyethyl]piperidine
CID 142147605
ethane;3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine;propane
CID 143089618
ethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine
CID 143277788
ethane;4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine
CID 143759829
4-[2-(6-Methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 144067829

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine;ethane?
The IUPAC name of 4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine;ethane (CID 170614897) is 4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine;ethane.
What is the SMILES notation for 4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine;ethane?
The canonical SMILES for 4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine;ethane is CC.FC(F)(COCC1=CC=CCC1)C1CCNCC1.
What is the InChIKey of 4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine;ethane?
The InChIKey is RKVSXCKPAUECNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO.C2H6/c15-14(16,13-6-8-17-9-7-13)11-18-10-12-4-2-1-3-5-12;1-2/h1-2,4,13,17H,3,5-11H2;1-2H3.
What are the key properties of 4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine;ethane?
4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine;ethane has a molecular weight of 287.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine;ethane is sourced from PubChem (CID 170614897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).