1-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine

C16H32N4 — CID 70027784

IUPAC1-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine
SMILESC/C=C(\C(C)N1CCNCC1)C(C)(C)N1CCNCC1
InChIInChI=1S/C16H32N4/c1-5-15(14(2)19-10-6-17-7-11-19)16(3,4)20-12-8-18-9-13-20/h5,14,17-18H,6-13H2,1-4H3/b15-5+
InChIKeyOGXDFEHRTIOLCP-PJQLUOCWSA-N
MW280.46 g/mol
LogP0.91
Rot. Bonds4

About 1-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine

1-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine (PubChem CID 70027784) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine.

Molecular Properties

Compound Name1-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine
PubChem CID70027784
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name1-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine
SMILESC/C=C(\C(C)N1CCNCC1)C(C)(C)N1CCNCC1
InChIInChI=1S/C16H32N4/c1-5-15(14(2)19-10-6-17-7-11-19)16(3,4)20-12-8-18-9-13-20/h5,14,17-18H,6-13H2,1-4H3/b15-5+
InChIKeyOGXDFEHRTIOLCP-PJQLUOCWSA-N
XLogP0.91
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine?
The IUPAC name of 1-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine (CID 70027784) is 1-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine.
What is the SMILES notation for 1-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine?
The canonical SMILES for 1-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine is C/C=C(\C(C)N1CCNCC1)C(C)(C)N1CCNCC1.
What is the InChIKey of 1-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine?
The InChIKey is OGXDFEHRTIOLCP-PJQLUOCWSA-N. The full InChI is InChI=1S/C16H32N4/c1-5-15(14(2)19-10-6-17-7-11-19)16(3,4)20-12-8-18-9-13-20/h5,14,17-18H,6-13H2,1-4H3/b15-5+.
What are the key properties of 1-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine?
1-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine has a molecular weight of 280.46 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine is sourced from PubChem (CID 70027784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).