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

C19H34N2 — CID 3039323

IUPAC1-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazine
SMILESCC(C)=CCCC(C)=CCCC(C)=CCN1CCNCC1
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
InChIKeyLUESRGDNECYQIC-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.31
Rot. Bonds8

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

1-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazine (PubChem CID 3039323) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazine.

Molecular Properties

Compound Name1-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazine
PubChem CID3039323
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazine
SMILESCC(C)=CCCC(C)=CCCC(C)=CCN1CCNCC1
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
InChIKeyLUESRGDNECYQIC-UHFFFAOYSA-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-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazine?
The IUPAC name of 1-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazine (CID 3039323) is 1-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazine.
What is the SMILES notation for 1-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazine?
The canonical SMILES for 1-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazine is CC(C)=CCCC(C)=CCCC(C)=CCN1CCNCC1.
What is the InChIKey of 1-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazine?
The InChIKey is LUESRGDNECYQIC-UHFFFAOYSA-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.
What are the key properties of 1-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazine?
1-(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-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazine is sourced from PubChem (CID 3039323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).