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

C22H38N2 — CID 6446858

IUPAC1-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine
SMILESC=CCN1CCN(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC1
InChIInChI=1S/C22H38N2/c1-6-14-23-16-18-24(19-17-23)15-13-22(5)12-8-11-21(4)10-7-9-20(2)3/h6,9,11,13H,1,7-8,10,12,14-19H2,2-5H3/b21-11+,22-13+
InChIKeyYCBSKSDBGSCAIW-ZGRPYONQSA-N
MW330.56 g/mol
LogP5.21
Rot. Bonds10

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

1-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine (PubChem CID 6446858) has the molecular formula C22H38N2 and a molecular weight of 330.56 g/mol. Its IUPAC name is 1-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine.

Molecular Properties

Compound Name1-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine
PubChem CID6446858
Molecular FormulaC22H38N2
Molecular Weight330.56 g/mol
Exact Mass330.30
IUPAC Name1-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine
SMILESC=CCN1CCN(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC1
InChIInChI=1S/C22H38N2/c1-6-14-23-16-18-24(19-17-23)15-13-22(5)12-8-11-21(4)10-7-9-20(2)3/h6,9,11,13H,1,7-8,10,12,14-19H2,2-5H3/b21-11+,22-13+
InChIKeyYCBSKSDBGSCAIW-ZGRPYONQSA-N
XLogP5.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 55.21
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-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine?
The IUPAC name of 1-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine (CID 6446858) is 1-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine.
What is the SMILES notation for 1-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine?
The canonical SMILES for 1-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine is C=CCN1CCN(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC1.
What is the InChIKey of 1-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine?
The InChIKey is YCBSKSDBGSCAIW-ZGRPYONQSA-N. The full InChI is InChI=1S/C22H38N2/c1-6-14-23-16-18-24(19-17-23)15-13-22(5)12-8-11-21(4)10-7-9-20(2)3/h6,9,11,13H,1,7-8,10,12,14-19H2,2-5H3/b21-11+,22-13+.
What are the key properties of 1-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine?
1-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine has a molecular weight of 330.56 g/mol, XLogP of 5.21, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine is sourced from PubChem (CID 6446858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).