1-phenyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine

C25H38N2 — CID 6446873

IUPAC1-phenyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H38N2/c1-22(2)10-8-11-23(3)12-9-13-24(4)16-17-26-18-20-27(21-19-26)25-14-6-5-7-15-25/h5-7,10,12,14-16H,8-9,11,13,17-21H2,1-4H3/b23-12+,24-16+
InChIKeyFACYKKRQGSLMGT-VFAYVSIVSA-N
MW366.59 g/mol
LogP6.23
Rot. Bonds9

About 1-phenyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine

1-phenyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine (PubChem CID 6446873) has the molecular formula C25H38N2 and a molecular weight of 366.59 g/mol. Its IUPAC name is 1-phenyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine
PubChem CID6446873
Molecular FormulaC25H38N2
Molecular Weight366.59 g/mol
Exact Mass366.30
IUPAC Name1-phenyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H38N2/c1-22(2)10-8-11-23(3)12-9-13-24(4)16-17-26-18-20-27(21-19-26)25-14-6-5-7-15-25/h5-7,10,12,14-16H,8-9,11,13,17-21H2,1-4H3/b23-12+,24-16+
InChIKeyFACYKKRQGSLMGT-VFAYVSIVSA-N
XLogP6.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 56.23
H-Bond Donors ≤ 50
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-phenyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine?
The IUPAC name of 1-phenyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine (CID 6446873) is 1-phenyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine?
The canonical SMILES for 1-phenyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine is CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine?
The InChIKey is FACYKKRQGSLMGT-VFAYVSIVSA-N. The full InChI is InChI=1S/C25H38N2/c1-22(2)10-8-11-23(3)12-9-13-24(4)16-17-26-18-20-27(21-19-26)25-14-6-5-7-15-25/h5-7,10,12,14-16H,8-9,11,13,17-21H2,1-4H3/b23-12+,24-16+.
What are the key properties of 1-phenyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine?
1-phenyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine has a molecular weight of 366.59 g/mol, XLogP of 6.23, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine is sourced from PubChem (CID 6446873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).