4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine

C14H24FNO — CID 143759830

IUPAC4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine
SMILESC/C=C(F)\C(=C/CC)OCCC1CCNCC1
InChIInChI=1S/C14H24FNO/c1-3-5-14(13(15)4-2)17-11-8-12-6-9-16-10-7-12/h4-5,12,16H,3,6-11H2,1-2H3/b13-4+,14-5+
InChIKeyPNXPLZAMTCYSPT-PCSLFHOQSA-N
MW241.35 g/mol
LogP3.56
Rot. Bonds6

About 4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine

4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine (PubChem CID 143759830) has the molecular formula C14H24FNO and a molecular weight of 241.35 g/mol. Its IUPAC name is 4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine.

Molecular Properties

Compound Name4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine
PubChem CID143759830
Molecular FormulaC14H24FNO
Molecular Weight241.35 g/mol
Exact Mass241.18
IUPAC Name4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine
SMILESC/C=C(F)\C(=C/CC)OCCC1CCNCC1
InChIInChI=1S/C14H24FNO/c1-3-5-14(13(15)4-2)17-11-8-12-6-9-16-10-7-12/h4-5,12,16H,3,6-11H2,1-2H3/b13-4+,14-5+
InChIKeyPNXPLZAMTCYSPT-PCSLFHOQSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 53.56
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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Related Compounds

3-[(5-Fluorocyclohexa-1,5-dien-1-yl)oxymethyl]piperidine
CID 143089574
4-[2-(Cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine;ethane
CID 170614897
4-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]piperidine
CID 102648244
4-[2-(6-Methylhepta-1,3,5-trien-3-yloxy)ethyl]piperidine
CID 91060293
3-(Cyclohexa-1,5-dien-1-yloxymethyl)piperidine
CID 142125077
3-(Cyclohexa-1,5-dien-1-yloxymethyl)piperidine;molecular hydrogen
CID 142125212
4-[2-(1,3,4-Trimethylcyclohepta-2,4,6-trien-1-yl)oxyethyl]piperidine
CID 142147605
ethane;3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine;propane
CID 143089618
(3R)-3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine
CID 143089643
ethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine
CID 143277788
ethane;4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine
CID 143759829
4-[2-(6-Methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 144067829

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine?
The IUPAC name of 4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine (CID 143759830) is 4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine.
What is the SMILES notation for 4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine?
The canonical SMILES for 4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine is C/C=C(F)\C(=C/CC)OCCC1CCNCC1.
What is the InChIKey of 4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine?
The InChIKey is PNXPLZAMTCYSPT-PCSLFHOQSA-N. The full InChI is InChI=1S/C14H24FNO/c1-3-5-14(13(15)4-2)17-11-8-12-6-9-16-10-7-12/h4-5,12,16H,3,6-11H2,1-2H3/b13-4+,14-5+.
What are the key properties of 4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine?
4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine has a molecular weight of 241.35 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine is sourced from PubChem (CID 143759830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).