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

C13H20FNO — CID 173164077

IUPAC1-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
SMILESFC1=CCCC=C1OCCN1CCCCC1
InChIInChI=1S/C13H20FNO/c14-12-6-2-3-7-13(12)16-11-10-15-8-4-1-5-9-15/h6-7H,1-5,8-11H2
InChIKeyICLKBEQKGNKRLN-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.02
Rot. Bonds4

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

1-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine (PubChem CID 173164077) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
PubChem CID173164077
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
SMILESFC1=CCCC=C1OCCN1CCCCC1
InChIInChI=1S/C13H20FNO/c14-12-6-2-3-7-13(12)16-11-10-15-8-4-1-5-9-15/h6-7H,1-5,8-11H2
InChIKeyICLKBEQKGNKRLN-UHFFFAOYSA-N
XLogP3.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine?
The IUPAC name of 1-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine (CID 173164077) is 1-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine.
What is the SMILES notation for 1-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine?
The canonical SMILES for 1-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine is FC1=CCCC=C1OCCN1CCCCC1.
What is the InChIKey of 1-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine?
The InChIKey is ICLKBEQKGNKRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c14-12-6-2-3-7-13(12)16-11-10-15-8-4-1-5-9-15/h6-7H,1-5,8-11H2.
What are the key properties of 1-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine?
1-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine has a molecular weight of 225.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine is sourced from PubChem (CID 173164077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).