1-methyl-4-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazine

C25H44N2 — CID 134764499

IUPAC1-methyl-4-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CN1CCN(C)CC1
InChIInChI=1S/C25H44N2/c1-22(2)10-7-11-23(3)12-8-13-24(4)14-9-15-25(5)16-17-27-20-18-26(6)19-21-27/h10,12,14,16H,7-9,11,13,15,17-21H2,1-6H3/b23-12+,24-14-,25-16+
InChIKeyRNYWGZFGJLZKNY-ZASDBRTLSA-N
MW372.64 g/mol
LogP6.38
Rot. Bonds11

About 1-methyl-4-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazine

1-methyl-4-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazine (PubChem CID 134764499) has the molecular formula C25H44N2 and a molecular weight of 372.64 g/mol. Its IUPAC name is 1-methyl-4-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazine
PubChem CID134764499
Molecular FormulaC25H44N2
Molecular Weight372.64 g/mol
Exact Mass372.35
IUPAC Name1-methyl-4-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CN1CCN(C)CC1
InChIInChI=1S/C25H44N2/c1-22(2)10-7-11-23(3)12-8-13-24(4)14-9-15-25(5)16-17-27-20-18-26(6)19-21-27/h10,12,14,16H,7-9,11,13,15,17-21H2,1-6H3/b23-12+,24-14-,25-16+
InChIKeyRNYWGZFGJLZKNY-ZASDBRTLSA-N
XLogP6.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 56.38
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-methyl-4-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazine?
The IUPAC name of 1-methyl-4-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazine (CID 134764499) is 1-methyl-4-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazine?
The canonical SMILES for 1-methyl-4-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazine is CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazine?
The InChIKey is RNYWGZFGJLZKNY-ZASDBRTLSA-N. The full InChI is InChI=1S/C25H44N2/c1-22(2)10-7-11-23(3)12-8-13-24(4)14-9-15-25(5)16-17-27-20-18-26(6)19-21-27/h10,12,14,16H,7-9,11,13,15,17-21H2,1-6H3/b23-12+,24-14-,25-16+.
What are the key properties of 1-methyl-4-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazine?
1-methyl-4-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazine has a molecular weight of 372.64 g/mol, XLogP of 6.38, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazine is sourced from PubChem (CID 134764499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).