3-ethyl-3-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine

C14H22FN — CID 123407439

IUPAC3-ethyl-3-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine
SMILESCCC1(CC2=CC=CCC2F)CCCNC1
InChIInChI=1S/C14H22FN/c1-2-14(8-5-9-16-11-14)10-12-6-3-4-7-13(12)15/h3-4,6,13,16H,2,5,7-11H2,1H3
InChIKeyZKTANVMMVKVZND-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.38
Rot. Bonds3

About 3-ethyl-3-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine

3-ethyl-3-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine (PubChem CID 123407439) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-ethyl-3-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine.

Molecular Properties

Compound Name3-ethyl-3-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine
PubChem CID123407439
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name3-ethyl-3-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine
SMILESCCC1(CC2=CC=CCC2F)CCCNC1
InChIInChI=1S/C14H22FN/c1-2-14(8-5-9-16-11-14)10-12-6-3-4-7-13(12)15/h3-4,6,13,16H,2,5,7-11H2,1H3
InChIKeyZKTANVMMVKVZND-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine?
The IUPAC name of 3-ethyl-3-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine (CID 123407439) is 3-ethyl-3-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine.
What is the SMILES notation for 3-ethyl-3-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine?
The canonical SMILES for 3-ethyl-3-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine is CCC1(CC2=CC=CCC2F)CCCNC1.
What is the InChIKey of 3-ethyl-3-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine?
The InChIKey is ZKTANVMMVKVZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-2-14(8-5-9-16-11-14)10-12-6-3-4-7-13(12)15/h3-4,6,13,16H,2,5,7-11H2,1H3.
What are the key properties of 3-ethyl-3-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine?
3-ethyl-3-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine has a molecular weight of 223.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine is sourced from PubChem (CID 123407439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).