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

C16H32N4 — CID 70027787

IUPAC1-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine
SMILESCC=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
InChIKeyOGXDFEHRTIOLCP-UHFFFAOYSA-N
MW280.46 g/mol
LogP0.91
Rot. Bonds4

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

1-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine (PubChem CID 70027787) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine.

Molecular Properties

Compound Name1-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine
PubChem CID70027787
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name1-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine
SMILESCC=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
InChIKeyOGXDFEHRTIOLCP-UHFFFAOYSA-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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Related Compounds

1-[(Z)-2-methyl-3-(1-piperidin-1-ylethyl)pent-3-en-2-yl]piperidine
CID 18547048
1-[2,4-Dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine
CID 18547072
1-[(Z)-2-(1-piperazin-1-ylethyl)but-2-enyl]piperazine
CID 18547116
1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine
CID 18547187
1-[2-Methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine
CID 70025616
1-[(E)-3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine
CID 70025741
1-[3-(2-Piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine
CID 70025743
1-[2-(1-Piperidin-1-ylethyl)but-2-enyl]piperazine
CID 70026885
1-[(E)-2,4-dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine
CID 70026891
1-[2,4-Dimethyl-3-(2-piperidin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine
CID 70026893
1-[2-(1-Piperazin-1-ylethyl)but-2-enyl]piperazine
CID 70026992
1-[(E)-2-methyl-3-(1-piperidin-1-ylethyl)pent-3-en-2-yl]piperidine
CID 70027372

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine?
The IUPAC name of 1-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine (CID 70027787) is 1-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine.
What is the SMILES notation for 1-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine?
The canonical SMILES for 1-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine is CC=C(C(C)N1CCNCC1)C(C)(C)N1CCNCC1.
What is the InChIKey of 1-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine?
The InChIKey is OGXDFEHRTIOLCP-UHFFFAOYSA-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.
What are the key properties of 1-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine?
1-[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-[2-methyl-3-(1-piperazin-1-ylethyl)pent-3-en-2-yl]piperazine is sourced from PubChem (CID 70027787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).