ethene;4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine;propane

C19H36FNO2 — CID 145107630

IUPACethene;4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine;propane
SMILESC=C.C=C(F)/C(=C\C)OCCN1CCC(OCC)CC1.CCC
InChIInChI=1S/C14H24FNO2.C3H8.C2H4/c1-4-14(12(3)15)18-11-10-16-8-6-13(7-9-16)17-5-2;1-3-2;1-2/h4,13H,3,5-11H2,1-2H3;3H2,1-2H3;1-2H2/b14-4+;;
InChIKeyYRGKZJVRLQKNNL-ZPBHMTFOSA-N
MW329.50 g/mol
LogP5.11
Rot. Bonds7

About ethene;4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine;propane

ethene;4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine;propane (PubChem CID 145107630) has the molecular formula C19H36FNO2 and a molecular weight of 329.50 g/mol. Its IUPAC name is ethene;4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine;propane.

Molecular Properties

Compound Nameethene;4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine;propane
PubChem CID145107630
Molecular FormulaC19H36FNO2
Molecular Weight329.50 g/mol
Exact Mass329.27
IUPAC Nameethene;4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine;propane
SMILESC=C.C=C(F)/C(=C\C)OCCN1CCC(OCC)CC1.CCC
InChIInChI=1S/C14H24FNO2.C3H8.C2H4/c1-4-14(12(3)15)18-11-10-16-8-6-13(7-9-16)17-5-2;1-3-2;1-2/h4,13H,3,5-11H2,1-2H3;3H2,1-2H3;1-2H2/b14-4+;;
InChIKeyYRGKZJVRLQKNNL-ZPBHMTFOSA-N
XLogP5.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.50
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine;propane?
The IUPAC name of ethene;4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine;propane (CID 145107630) is ethene;4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine;propane.
What is the SMILES notation for ethene;4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine;propane?
The canonical SMILES for ethene;4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine;propane is C=C.C=C(F)/C(=C\C)OCCN1CCC(OCC)CC1.CCC.
What is the InChIKey of ethene;4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine;propane?
The InChIKey is YRGKZJVRLQKNNL-ZPBHMTFOSA-N. The full InChI is InChI=1S/C14H24FNO2.C3H8.C2H4/c1-4-14(12(3)15)18-11-10-16-8-6-13(7-9-16)17-5-2;1-3-2;1-2/h4,13H,3,5-11H2,1-2H3;3H2,1-2H3;1-2H2/b14-4+;;.
What are the key properties of ethene;4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine;propane?
ethene;4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine;propane has a molecular weight of 329.50 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine;propane is sourced from PubChem (CID 145107630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).