ethane;1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine

C14H28N2O — CID 145119797

IUPACethane;1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine
SMILESC=C/C=C(\C)OCCCN1CCNCC1.CC
InChIInChI=1S/C12H22N2O.C2H6/c1-3-5-12(2)15-11-4-8-14-9-6-13-7-10-14;1-2/h3,5,13H,1,4,6-11H2,2H3;1-2H3/b12-5+;
InChIKeyGPMATYIMFNKPLV-NKPNRJPBSA-N
MW240.39 g/mol
LogP2.41
Rot. Bonds6

About ethane;1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine

ethane;1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine (PubChem CID 145119797) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is ethane;1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine.

Molecular Properties

Compound Nameethane;1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine
PubChem CID145119797
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Nameethane;1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine
SMILESC=C/C=C(\C)OCCCN1CCNCC1.CC
InChIInChI=1S/C12H22N2O.C2H6/c1-3-5-12(2)15-11-4-8-14-9-6-13-7-10-14;1-2/h3,5,13H,1,4,6-11H2,2H3;1-2H3/b12-5+;
InChIKeyGPMATYIMFNKPLV-NKPNRJPBSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine?
The IUPAC name of ethane;1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine (CID 145119797) is ethane;1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine.
What is the SMILES notation for ethane;1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine?
The canonical SMILES for ethane;1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine is C=C/C=C(\C)OCCCN1CCNCC1.CC.
What is the InChIKey of ethane;1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine?
The InChIKey is GPMATYIMFNKPLV-NKPNRJPBSA-N. The full InChI is InChI=1S/C12H22N2O.C2H6/c1-3-5-12(2)15-11-4-8-14-9-6-13-7-10-14;1-2/h3,5,13H,1,4,6-11H2,2H3;1-2H3/b12-5+;.
What are the key properties of ethane;1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine?
ethane;1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine has a molecular weight of 240.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-[(2E)-penta-2,4-dien-2-yl]oxypropyl]piperazine is sourced from PubChem (CID 145119797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).