1-[2-(2,6-difluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine

C13H19F2NO — CID 173184277

IUPAC1-[2-(2,6-difluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
SMILESFC1=CCCC(F)=C1OCCN1CCCCC1
InChIInChI=1S/C13H19F2NO/c14-11-5-4-6-12(15)13(11)17-10-9-16-7-2-1-3-8-16/h5H,1-4,6-10H2
InChIKeyOWOARSJYBMRQCL-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.32
Rot. Bonds4

About 1-[2-(2,6-difluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine

1-[2-(2,6-difluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine (PubChem CID 173184277) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-[2-(2,6-difluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-(2,6-difluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
PubChem CID173184277
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1-[2-(2,6-difluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
SMILESFC1=CCCC(F)=C1OCCN1CCCCC1
InChIInChI=1S/C13H19F2NO/c14-11-5-4-6-12(15)13(11)17-10-9-16-7-2-1-3-8-16/h5H,1-4,6-10H2
InChIKeyOWOARSJYBMRQCL-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(6-Fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 117975502
4-(6-Fluorocyclohexa-1,5-dien-1-yl)oxy-1-methylpiperidine
CID 144191902
Ethane;1-methyl-4-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
CID 168168416
1-[3-(6-Fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
CID 173134828
1-[2-(6-Fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 173164077
1-[3-(5-Fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
CID 173184242
1-Methyl-4-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
CID 168168417
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)piperidine
CID 21959220
1-[2-[(2E,4Z)-4-ethylhexa-2,4-dien-3-yl]oxyethyl]piperidine
CID 89584110
1-[2-(4-Ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine
CID 123636866
1-(2-Cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine
CID 142368758
1-[2-[(2E,4E)-4-methoxy-3-methylhexa-2,4-dien-2-yl]oxyethyl]piperidine
CID 143331030

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-difluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine?
The IUPAC name of 1-[2-(2,6-difluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine (CID 173184277) is 1-[2-(2,6-difluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine.
What is the SMILES notation for 1-[2-(2,6-difluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine?
The canonical SMILES for 1-[2-(2,6-difluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine is FC1=CCCC(F)=C1OCCN1CCCCC1.
What is the InChIKey of 1-[2-(2,6-difluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine?
The InChIKey is OWOARSJYBMRQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c14-11-5-4-6-12(15)13(11)17-10-9-16-7-2-1-3-8-16/h5H,1-4,6-10H2.
What are the key properties of 1-[2-(2,6-difluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine?
1-[2-(2,6-difluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine has a molecular weight of 243.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-difluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine is sourced from PubChem (CID 173184277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).