1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazine

C14H26N2 — CID 14497703

IUPAC1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazine
SMILESCC(C)=CCC/C(C)=C/CN1CCNCC1
InChIInChI=1S/C14H26N2/c1-13(2)5-4-6-14(3)7-10-16-11-8-15-9-12-16/h5,7,15H,4,6,8-12H2,1-3H3/b14-7+
InChIKeyDXYUBILCMWTMLB-VGOFMYFVSA-N
MW222.38 g/mol
LogP2.58
Rot. Bonds5

About 1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazine

1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazine (PubChem CID 14497703) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazine.

Molecular Properties

Compound Name1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazine
PubChem CID14497703
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazine
SMILESCC(C)=CCC/C(C)=C/CN1CCNCC1
InChIInChI=1S/C14H26N2/c1-13(2)5-4-6-14(3)7-10-16-11-8-15-9-12-16/h5,7,15H,4,6,8-12H2,1-3H3/b14-7+
InChIKeyDXYUBILCMWTMLB-VGOFMYFVSA-N
XLogP2.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazine?
The IUPAC name of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazine (CID 14497703) is 1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazine.
What is the SMILES notation for 1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazine?
The canonical SMILES for 1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazine is CC(C)=CCC/C(C)=C/CN1CCNCC1.
What is the InChIKey of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazine?
The InChIKey is DXYUBILCMWTMLB-VGOFMYFVSA-N. The full InChI is InChI=1S/C14H26N2/c1-13(2)5-4-6-14(3)7-10-16-11-8-15-9-12-16/h5,7,15H,4,6,8-12H2,1-3H3/b14-7+.
What are the key properties of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazine?
1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazine has a molecular weight of 222.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazine is sourced from PubChem (CID 14497703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).