1-[(2E,4E,6Z)-5-tert-butylocta-2,4,6-trien-2-yl]piperazine

C16H28N2 — CID 89126403

IUPAC1-[(2E,4E,6Z)-5-tert-butylocta-2,4,6-trien-2-yl]piperazine
SMILESC/C=C\C(=C/C=C(\C)N1CCNCC1)C(C)(C)C
InChIInChI=1S/C16H28N2/c1-6-7-15(16(3,4)5)9-8-14(2)18-12-10-17-11-13-18/h6-9,17H,10-13H2,1-5H3/b7-6-,14-8+,15-9+
InChIKeySPHBRZDISFUHFP-YOUODTBTSA-N
MW248.41 g/mol
LogP3.34
Rot. Bonds3

About 1-[(2E,4E,6Z)-5-tert-butylocta-2,4,6-trien-2-yl]piperazine

1-[(2E,4E,6Z)-5-tert-butylocta-2,4,6-trien-2-yl]piperazine (PubChem CID 89126403) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-[(2E,4E,6Z)-5-tert-butylocta-2,4,6-trien-2-yl]piperazine.

Molecular Properties

Compound Name1-[(2E,4E,6Z)-5-tert-butylocta-2,4,6-trien-2-yl]piperazine
PubChem CID89126403
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-[(2E,4E,6Z)-5-tert-butylocta-2,4,6-trien-2-yl]piperazine
SMILESC/C=C\C(=C/C=C(\C)N1CCNCC1)C(C)(C)C
InChIInChI=1S/C16H28N2/c1-6-7-15(16(3,4)5)9-8-14(2)18-12-10-17-11-13-18/h6-9,17H,10-13H2,1-5H3/b7-6-,14-8+,15-9+
InChIKeySPHBRZDISFUHFP-YOUODTBTSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4E,6Z)-5-tert-butylocta-2,4,6-trien-2-yl]piperazine?
The IUPAC name of 1-[(2E,4E,6Z)-5-tert-butylocta-2,4,6-trien-2-yl]piperazine (CID 89126403) is 1-[(2E,4E,6Z)-5-tert-butylocta-2,4,6-trien-2-yl]piperazine.
What is the SMILES notation for 1-[(2E,4E,6Z)-5-tert-butylocta-2,4,6-trien-2-yl]piperazine?
The canonical SMILES for 1-[(2E,4E,6Z)-5-tert-butylocta-2,4,6-trien-2-yl]piperazine is C/C=C\C(=C/C=C(\C)N1CCNCC1)C(C)(C)C.
What is the InChIKey of 1-[(2E,4E,6Z)-5-tert-butylocta-2,4,6-trien-2-yl]piperazine?
The InChIKey is SPHBRZDISFUHFP-YOUODTBTSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-7-15(16(3,4)5)9-8-14(2)18-12-10-17-11-13-18/h6-9,17H,10-13H2,1-5H3/b7-6-,14-8+,15-9+.
What are the key properties of 1-[(2E,4E,6Z)-5-tert-butylocta-2,4,6-trien-2-yl]piperazine?
1-[(2E,4E,6Z)-5-tert-butylocta-2,4,6-trien-2-yl]piperazine has a molecular weight of 248.41 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4E,6Z)-5-tert-butylocta-2,4,6-trien-2-yl]piperazine is sourced from PubChem (CID 89126403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).