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

C14H22FNO — CID 173172155

IUPAC4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-(2-methoxyethyl)piperidine
SMILESCOCCN1CCC(C2=C(F)CCC=C2)CC1
InChIInChI=1S/C14H22FNO/c1-17-11-10-16-8-6-12(7-9-16)13-4-2-3-5-14(13)15/h2,4,12H,3,5-11H2,1H3
InChIKeyXRTBUHJZFGCBIZ-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.92
Rot. Bonds4

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

4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-(2-methoxyethyl)piperidine (PubChem CID 173172155) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-(2-methoxyethyl)piperidine.

Molecular Properties

Compound Name4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-(2-methoxyethyl)piperidine
PubChem CID173172155
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-(2-methoxyethyl)piperidine
SMILESCOCCN1CCC(C2=C(F)CCC=C2)CC1
InChIInChI=1S/C14H22FNO/c1-17-11-10-16-8-6-12(7-9-16)13-4-2-3-5-14(13)15/h2,4,12H,3,5-11H2,1H3
InChIKeyXRTBUHJZFGCBIZ-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-(2-methoxyethyl)piperidine?
The IUPAC name of 4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-(2-methoxyethyl)piperidine (CID 173172155) is 4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-(2-methoxyethyl)piperidine.
What is the SMILES notation for 4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-(2-methoxyethyl)piperidine?
The canonical SMILES for 4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-(2-methoxyethyl)piperidine is COCCN1CCC(C2=C(F)CCC=C2)CC1.
What is the InChIKey of 4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-(2-methoxyethyl)piperidine?
The InChIKey is XRTBUHJZFGCBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-17-11-10-16-8-6-12(7-9-16)13-4-2-3-5-14(13)15/h2,4,12H,3,5-11H2,1H3.
What are the key properties of 4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-(2-methoxyethyl)piperidine?
4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-(2-methoxyethyl)piperidine has a molecular weight of 239.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-(2-methoxyethyl)piperidine is sourced from PubChem (CID 173172155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).