4-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]oxypiperidine

C11H16FNO — CID 143792191

IUPAC4-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]oxypiperidine
SMILESC=C/C(=C\C=C\F)OC1CCNCC1
InChIInChI=1S/C11H16FNO/c1-2-10(4-3-7-12)14-11-5-8-13-9-6-11/h2-4,7,11,13H,1,5-6,8-9H2/b7-3+,10-4+
InChIKeyBKOROSVKTFKYAE-DROBUMMNSA-N
MW197.25 g/mol
LogP2.31
Rot. Bonds4

About 4-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]oxypiperidine

4-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]oxypiperidine (PubChem CID 143792191) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 4-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]oxypiperidine.

Molecular Properties

Compound Name4-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]oxypiperidine
PubChem CID143792191
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name4-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]oxypiperidine
SMILESC=C/C(=C\C=C\F)OC1CCNCC1
InChIInChI=1S/C11H16FNO/c1-2-10(4-3-7-12)14-11-5-8-13-9-6-11/h2-4,7,11,13H,1,5-6,8-9H2/b7-3+,10-4+
InChIKeyBKOROSVKTFKYAE-DROBUMMNSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]oxypiperidine?
The IUPAC name of 4-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]oxypiperidine (CID 143792191) is 4-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]oxypiperidine.
What is the SMILES notation for 4-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]oxypiperidine?
The canonical SMILES for 4-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]oxypiperidine is C=C/C(=C\C=C\F)OC1CCNCC1.
What is the InChIKey of 4-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]oxypiperidine?
The InChIKey is BKOROSVKTFKYAE-DROBUMMNSA-N. The full InChI is InChI=1S/C11H16FNO/c1-2-10(4-3-7-12)14-11-5-8-13-9-6-11/h2-4,7,11,13H,1,5-6,8-9H2/b7-3+,10-4+.
What are the key properties of 4-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]oxypiperidine?
4-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]oxypiperidine has a molecular weight of 197.25 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]oxypiperidine is sourced from PubChem (CID 143792191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).