1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine

C19H34N2 — CID 6445849

IUPAC1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCNCC1
InChIInChI=1S/C19H34N2/c1-17(2)7-5-8-18(3)9-6-10-19(4)11-14-21-15-12-20-13-16-21/h7,9,11,20H,5-6,8,10,12-16H2,1-4H3/b18-9+,19-11+
InChIKeyLUESRGDNECYQIC-ZYCAGONGSA-N
MW290.50 g/mol
LogP4.31
Rot. Bonds8

About 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine

1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine (PubChem CID 6445849) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine.

Molecular Properties

Compound Name1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine
PubChem CID6445849
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCNCC1
InChIInChI=1S/C19H34N2/c1-17(2)7-5-8-18(3)9-6-10-19(4)11-14-21-15-12-20-13-16-21/h7,9,11,20H,5-6,8,10,12-16H2,1-4H3/b18-9+,19-11+
InChIKeyLUESRGDNECYQIC-ZYCAGONGSA-N
XLogP4.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.31
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,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine?
The IUPAC name of 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine (CID 6445849) is 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine.
What is the SMILES notation for 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine?
The canonical SMILES for 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine is CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCNCC1.
What is the InChIKey of 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine?
The InChIKey is LUESRGDNECYQIC-ZYCAGONGSA-N. The full InChI is InChI=1S/C19H34N2/c1-17(2)7-5-8-18(3)9-6-10-19(4)11-14-21-15-12-20-13-16-21/h7,9,11,20H,5-6,8,10,12-16H2,1-4H3/b18-9+,19-11+.
What are the key properties of 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine?
1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine has a molecular weight of 290.50 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine is sourced from PubChem (CID 6445849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).