1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine

C15H26N2 — CID 144965156

IUPAC1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine
SMILESC=C/C(=C(\C=C/C)C(C)CC)N1CCNCC1
InChIInChI=1S/C15H26N2/c1-5-8-14(13(4)6-2)15(7-3)17-11-9-16-10-12-17/h5,7-8,13,16H,3,6,9-12H2,1-2,4H3/b8-5-,15-14-
InChIKeyFTTTXTYOLNVACB-RFFGWJKESA-N
MW234.39 g/mol
LogP2.95
Rot. Bonds5

About 1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine

1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine (PubChem CID 144965156) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine.

Molecular Properties

Compound Name1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine
PubChem CID144965156
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine
SMILESC=C/C(=C(\C=C/C)C(C)CC)N1CCNCC1
InChIInChI=1S/C15H26N2/c1-5-8-14(13(4)6-2)15(7-3)17-11-9-16-10-12-17/h5,7-8,13,16H,3,6,9-12H2,1-2,4H3/b8-5-,15-14-
InChIKeyFTTTXTYOLNVACB-RFFGWJKESA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.95
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-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine?
The IUPAC name of 1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine (CID 144965156) is 1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine.
What is the SMILES notation for 1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine?
The canonical SMILES for 1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine is C=C/C(=C(\C=C/C)C(C)CC)N1CCNCC1.
What is the InChIKey of 1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine?
The InChIKey is FTTTXTYOLNVACB-RFFGWJKESA-N. The full InChI is InChI=1S/C15H26N2/c1-5-8-14(13(4)6-2)15(7-3)17-11-9-16-10-12-17/h5,7-8,13,16H,3,6,9-12H2,1-2,4H3/b8-5-,15-14-.
What are the key properties of 1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine?
1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine has a molecular weight of 234.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine is sourced from PubChem (CID 144965156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).