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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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).