1,4-bis(octa-2,7-diynyl)piperazine

C20H26N2 — CID 138757026

IUPAC1,4-bis(octa-2,7-diynyl)piperazine
SMILESC#CCCCC#CCN1CCN(CC#CCCCC#C)CC1
InChIInChI=1S/C20H26N2/c1-3-5-7-9-11-13-15-21-17-19-22(20-18-21)16-14-12-10-8-6-4-2/h1-2H,5-10,15-20H2
InChIKeyDLBXPFNJZRTDOA-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.22
Rot. Bonds6

About 1,4-bis(octa-2,7-diynyl)piperazine

1,4-bis(octa-2,7-diynyl)piperazine (PubChem CID 138757026) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1,4-bis(octa-2,7-diynyl)piperazine.

Molecular Properties

Compound Name1,4-bis(octa-2,7-diynyl)piperazine
PubChem CID138757026
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name1,4-bis(octa-2,7-diynyl)piperazine
SMILESC#CCCCC#CCN1CCN(CC#CCCCC#C)CC1
InChIInChI=1S/C20H26N2/c1-3-5-7-9-11-13-15-21-17-19-22(20-18-21)16-14-12-10-8-6-4-2/h1-2H,5-10,15-20H2
InChIKeyDLBXPFNJZRTDOA-UHFFFAOYSA-N
XLogP2.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(octa-2,7-diynyl)piperazine?
The IUPAC name of 1,4-bis(octa-2,7-diynyl)piperazine (CID 138757026) is 1,4-bis(octa-2,7-diynyl)piperazine.
What is the SMILES notation for 1,4-bis(octa-2,7-diynyl)piperazine?
The canonical SMILES for 1,4-bis(octa-2,7-diynyl)piperazine is C#CCCCC#CCN1CCN(CC#CCCCC#C)CC1.
What is the InChIKey of 1,4-bis(octa-2,7-diynyl)piperazine?
The InChIKey is DLBXPFNJZRTDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-3-5-7-9-11-13-15-21-17-19-22(20-18-21)16-14-12-10-8-6-4-2/h1-2H,5-10,15-20H2.
What are the key properties of 1,4-bis(octa-2,7-diynyl)piperazine?
1,4-bis(octa-2,7-diynyl)piperazine has a molecular weight of 294.44 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(octa-2,7-diynyl)piperazine is sourced from PubChem (CID 138757026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).