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

C14H21F2NO — CID 170614898

IUPAC4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine
SMILESFC(F)(COCC1=CC=CCC1)C1CCNCC1
InChIInChI=1S/C14H21F2NO/c15-14(16,13-6-8-17-9-7-13)11-18-10-12-4-2-1-3-5-12/h1-2,4,13,17H,3,5-11H2
InChIKeyLSYXAPCJOGUCJF-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.91
Rot. Bonds5

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

4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine (PubChem CID 170614898) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine.

Molecular Properties

Compound Name4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine
PubChem CID170614898
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine
SMILESFC(F)(COCC1=CC=CCC1)C1CCNCC1
InChIInChI=1S/C14H21F2NO/c15-14(16,13-6-8-17-9-7-13)11-18-10-12-4-2-1-3-5-12/h1-2,4,13,17H,3,5-11H2
InChIKeyLSYXAPCJOGUCJF-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
3-[(5-Fluorocyclohexa-1,5-dien-1-yl)oxymethyl]piperidine
CID 143089574
4-[2-(Cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine;ethane
CID 170614897
4-[[4-(2,2,3,3-Tetrafluoropropoxymethyl)cyclohexa-1,5-dien-1-yl]methoxy]piperidine
CID 162577750
3-[[4-(Trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine
CID 162598812
3-(Cyclohexa-1,5-dien-1-yloxymethyl)piperidine
CID 142125077
3-(Cyclohexa-1,5-dien-1-yloxymethyl)piperidine;molecular hydrogen
CID 142125212
4-[2-(1,3,4-Trimethylcyclohepta-2,4,6-trien-1-yl)oxyethyl]piperidine
CID 142147605
(3R)-3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine
CID 143089643
ethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine
CID 143277788

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine?
The IUPAC name of 4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine (CID 170614898) is 4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine.
What is the SMILES notation for 4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine?
The canonical SMILES for 4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine is FC(F)(COCC1=CC=CCC1)C1CCNCC1.
What is the InChIKey of 4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine?
The InChIKey is LSYXAPCJOGUCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c15-14(16,13-6-8-17-9-7-13)11-18-10-12-4-2-1-3-5-12/h1-2,4,13,17H,3,5-11H2.
What are the key properties of 4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine?
4-[2-(cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine has a molecular weight of 257.32 g/mol, XLogP of 2.91, 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 is sourced from PubChem (CID 170614898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).