1-ethyl-4-(2-fluorocyclohexa-1,5-dien-1-yl)piperidine

C13H20FN — CID 173171947

IUPAC1-ethyl-4-(2-fluorocyclohexa-1,5-dien-1-yl)piperidine
SMILESCCN1CCC(C2=C(F)CCC=C2)CC1
InChIInChI=1S/C13H20FN/c1-2-15-9-7-11(8-10-15)12-5-3-4-6-13(12)14/h3,5,11H,2,4,6-10H2,1H3
InChIKeyLADIXSYZDGNNOW-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.29
Rot. Bonds2

About 1-ethyl-4-(2-fluorocyclohexa-1,5-dien-1-yl)piperidine

1-ethyl-4-(2-fluorocyclohexa-1,5-dien-1-yl)piperidine (PubChem CID 173171947) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-ethyl-4-(2-fluorocyclohexa-1,5-dien-1-yl)piperidine.

Molecular Properties

Compound Name1-ethyl-4-(2-fluorocyclohexa-1,5-dien-1-yl)piperidine
PubChem CID173171947
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name1-ethyl-4-(2-fluorocyclohexa-1,5-dien-1-yl)piperidine
SMILESCCN1CCC(C2=C(F)CCC=C2)CC1
InChIInChI=1S/C13H20FN/c1-2-15-9-7-11(8-10-15)12-5-3-4-6-13(12)14/h3,5,11H,2,4,6-10H2,1H3
InChIKeyLADIXSYZDGNNOW-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-fluorocyclohexa-1,5-dien-1-yl)piperidine?
The IUPAC name of 1-ethyl-4-(2-fluorocyclohexa-1,5-dien-1-yl)piperidine (CID 173171947) is 1-ethyl-4-(2-fluorocyclohexa-1,5-dien-1-yl)piperidine.
What is the SMILES notation for 1-ethyl-4-(2-fluorocyclohexa-1,5-dien-1-yl)piperidine?
The canonical SMILES for 1-ethyl-4-(2-fluorocyclohexa-1,5-dien-1-yl)piperidine is CCN1CCC(C2=C(F)CCC=C2)CC1.
What is the InChIKey of 1-ethyl-4-(2-fluorocyclohexa-1,5-dien-1-yl)piperidine?
The InChIKey is LADIXSYZDGNNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-2-15-9-7-11(8-10-15)12-5-3-4-6-13(12)14/h3,5,11H,2,4,6-10H2,1H3.
What are the key properties of 1-ethyl-4-(2-fluorocyclohexa-1,5-dien-1-yl)piperidine?
1-ethyl-4-(2-fluorocyclohexa-1,5-dien-1-yl)piperidine has a molecular weight of 209.31 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-fluorocyclohexa-1,5-dien-1-yl)piperidine is sourced from PubChem (CID 173171947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).