1-(5-fluorohexa-1,3,5-trien-3-yl)piperidin-4-ol

C11H16FNO — CID 123261031

IUPAC1-(5-fluorohexa-1,3,5-trien-3-yl)piperidin-4-ol
SMILESC=CC(=CC(=C)F)N1CCC(O)CC1
InChIInChI=1S/C11H16FNO/c1-3-10(8-9(2)12)13-6-4-11(14)5-7-13/h3,8,11,14H,1-2,4-7H2
InChIKeyGFGCRGNIAUCLEQ-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.00
Rot. Bonds3

About 1-(5-fluorohexa-1,3,5-trien-3-yl)piperidin-4-ol

1-(5-fluorohexa-1,3,5-trien-3-yl)piperidin-4-ol (PubChem CID 123261031) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-(5-fluorohexa-1,3,5-trien-3-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(5-fluorohexa-1,3,5-trien-3-yl)piperidin-4-ol
PubChem CID123261031
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name1-(5-fluorohexa-1,3,5-trien-3-yl)piperidin-4-ol
SMILESC=CC(=CC(=C)F)N1CCC(O)CC1
InChIInChI=1S/C11H16FNO/c1-3-10(8-9(2)12)13-6-4-11(14)5-7-13/h3,8,11,14H,1-2,4-7H2
InChIKeyGFGCRGNIAUCLEQ-UHFFFAOYSA-N
XLogP2.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidin-4-ol
CID 58337001
1-Buta-1,3-dien-2-ylpiperidin-4-ol
CID 91043038
1-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol
CID 142260643
1-[(3E)-penta-1,3-dien-3-yl]piperidin-4-ol
CID 145169483
1-[(3E,5E)-5-bromohepta-1,3,5-trien-3-yl]piperidin-4-ol
CID 172591871
1-[(2E,4E)-hexa-2,4-dienyl]piperidin-4-ol
CID 133620568

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluorohexa-1,3,5-trien-3-yl)piperidin-4-ol?
The IUPAC name of 1-(5-fluorohexa-1,3,5-trien-3-yl)piperidin-4-ol (CID 123261031) is 1-(5-fluorohexa-1,3,5-trien-3-yl)piperidin-4-ol.
What is the SMILES notation for 1-(5-fluorohexa-1,3,5-trien-3-yl)piperidin-4-ol?
The canonical SMILES for 1-(5-fluorohexa-1,3,5-trien-3-yl)piperidin-4-ol is C=CC(=CC(=C)F)N1CCC(O)CC1.
What is the InChIKey of 1-(5-fluorohexa-1,3,5-trien-3-yl)piperidin-4-ol?
The InChIKey is GFGCRGNIAUCLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-3-10(8-9(2)12)13-6-4-11(14)5-7-13/h3,8,11,14H,1-2,4-7H2.
What are the key properties of 1-(5-fluorohexa-1,3,5-trien-3-yl)piperidin-4-ol?
1-(5-fluorohexa-1,3,5-trien-3-yl)piperidin-4-ol has a molecular weight of 197.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluorohexa-1,3,5-trien-3-yl)piperidin-4-ol is sourced from PubChem (CID 123261031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).