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

C34H58N2 — CID 6446208

IUPAC1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCN(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC1
InChIInChI=1S/C34H58N2/c1-29(2)13-9-15-31(5)17-11-19-33(7)21-23-35-25-27-36(28-26-35)24-22-34(8)20-12-18-32(6)16-10-14-30(3)4/h13-14,17-18,21-22H,9-12,15-16,19-20,23-28H2,1-8H3/b31-17+,32-18+,33-21+,34-22+
InChIKeyYQDADZNIKYLCSK-OGXBVDAXSA-N
MW494.85 g/mol
LogP9.44
Rot. Bonds16

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

1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine (PubChem CID 6446208) has the molecular formula C34H58N2 and a molecular weight of 494.85 g/mol. Its IUPAC name is 1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine.

Molecular Properties

Compound Name1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine
PubChem CID6446208
Molecular FormulaC34H58N2
Molecular Weight494.85 g/mol
Exact Mass494.46
IUPAC Name1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCN(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC1
InChIInChI=1S/C34H58N2/c1-29(2)13-9-15-31(5)17-11-19-33(7)21-23-35-25-27-36(28-26-35)24-22-34(8)20-12-18-32(6)16-10-14-30(3)4/h13-14,17-18,21-22H,9-12,15-16,19-20,23-28H2,1-8H3/b31-17+,32-18+,33-21+,34-22+
InChIKeyYQDADZNIKYLCSK-OGXBVDAXSA-N
XLogP9.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.85
LogP ≤ 59.44
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 1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine?
The IUPAC name of 1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine (CID 6446208) is 1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine.
What is the SMILES notation for 1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine?
The canonical SMILES for 1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine is CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCN(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC1.
What is the InChIKey of 1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine?
The InChIKey is YQDADZNIKYLCSK-OGXBVDAXSA-N. The full InChI is InChI=1S/C34H58N2/c1-29(2)13-9-15-31(5)17-11-19-33(7)21-23-35-25-27-36(28-26-35)24-22-34(8)20-12-18-32(6)16-10-14-30(3)4/h13-14,17-18,21-22H,9-12,15-16,19-20,23-28H2,1-8H3/b31-17+,32-18+,33-21+,34-22+.
What are the key properties of 1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine?
1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine has a molecular weight of 494.85 g/mol, XLogP of 9.44, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine is sourced from PubChem (CID 6446208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).