1-fluoro-4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine

C11H16FNO — CID 142009456

IUPAC1-fluoro-4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine
SMILESC=C/C=C(\C=C)OC1CCN(F)CC1
InChIInChI=1S/C11H16FNO/c1-3-5-10(4-2)14-11-6-8-13(12)9-7-11/h3-5,11H,1-2,6-9H2/b10-5+
InChIKeyXEBDJKBKVVTMKT-BJMVGYQFSA-N
MW197.25 g/mol
LogP2.61
Rot. Bonds4

About 1-fluoro-4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine

1-fluoro-4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine (PubChem CID 142009456) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-fluoro-4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine.

Molecular Properties

Compound Name1-fluoro-4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine
PubChem CID142009456
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name1-fluoro-4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine
SMILESC=C/C=C(\C=C)OC1CCN(F)CC1
InChIInChI=1S/C11H16FNO/c1-3-5-10(4-2)14-11-6-8-13(12)9-7-11/h3-5,11H,1-2,6-9H2/b10-5+
InChIKeyXEBDJKBKVVTMKT-BJMVGYQFSA-N
XLogP2.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine?
The IUPAC name of 1-fluoro-4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine (CID 142009456) is 1-fluoro-4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine.
What is the SMILES notation for 1-fluoro-4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine?
The canonical SMILES for 1-fluoro-4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine is C=C/C=C(\C=C)OC1CCN(F)CC1.
What is the InChIKey of 1-fluoro-4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine?
The InChIKey is XEBDJKBKVVTMKT-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H16FNO/c1-3-5-10(4-2)14-11-6-8-13(12)9-7-11/h3-5,11H,1-2,6-9H2/b10-5+.
What are the key properties of 1-fluoro-4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine?
1-fluoro-4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine has a molecular weight of 197.25 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine is sourced from PubChem (CID 142009456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).