1-[(2E,4Z)-2-methoxy-4,6-dimethylhepta-2,4-dienyl]-4-methylpiperazine

C15H28N2O — CID 134534587

IUPAC1-[(2E,4Z)-2-methoxy-4,6-dimethylhepta-2,4-dienyl]-4-methylpiperazine
SMILESCO/C(=C/C(C)=C\C(C)C)CN1CCN(C)CC1
InChIInChI=1S/C15H28N2O/c1-13(2)10-14(3)11-15(18-5)12-17-8-6-16(4)7-9-17/h10-11,13H,6-9,12H2,1-5H3/b14-10-,15-11+
InChIKeyDMSSFKYNFZZSRW-YCRUPXPOSA-N
MW252.40 g/mol
LogP2.37
Rot. Bonds5

About 1-[(2E,4Z)-2-methoxy-4,6-dimethylhepta-2,4-dienyl]-4-methylpiperazine

1-[(2E,4Z)-2-methoxy-4,6-dimethylhepta-2,4-dienyl]-4-methylpiperazine (PubChem CID 134534587) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[(2E,4Z)-2-methoxy-4,6-dimethylhepta-2,4-dienyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2E,4Z)-2-methoxy-4,6-dimethylhepta-2,4-dienyl]-4-methylpiperazine
PubChem CID134534587
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[(2E,4Z)-2-methoxy-4,6-dimethylhepta-2,4-dienyl]-4-methylpiperazine
SMILESCO/C(=C/C(C)=C\C(C)C)CN1CCN(C)CC1
InChIInChI=1S/C15H28N2O/c1-13(2)10-14(3)11-15(18-5)12-17-8-6-16(4)7-9-17/h10-11,13H,6-9,12H2,1-5H3/b14-10-,15-11+
InChIKeyDMSSFKYNFZZSRW-YCRUPXPOSA-N
XLogP2.37
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-[(2E,4Z)-2-methoxy-4,6-dimethylhepta-2,4-dienyl]-4-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-2-methoxy-4,6-dimethylhepta-2,4-dienyl]-4-methylpiperazine?
The IUPAC name of 1-[(2E,4Z)-2-methoxy-4,6-dimethylhepta-2,4-dienyl]-4-methylpiperazine (CID 134534587) is 1-[(2E,4Z)-2-methoxy-4,6-dimethylhepta-2,4-dienyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2E,4Z)-2-methoxy-4,6-dimethylhepta-2,4-dienyl]-4-methylpiperazine?
The canonical SMILES for 1-[(2E,4Z)-2-methoxy-4,6-dimethylhepta-2,4-dienyl]-4-methylpiperazine is CO/C(=C/C(C)=C\C(C)C)CN1CCN(C)CC1.
What is the InChIKey of 1-[(2E,4Z)-2-methoxy-4,6-dimethylhepta-2,4-dienyl]-4-methylpiperazine?
The InChIKey is DMSSFKYNFZZSRW-YCRUPXPOSA-N. The full InChI is InChI=1S/C15H28N2O/c1-13(2)10-14(3)11-15(18-5)12-17-8-6-16(4)7-9-17/h10-11,13H,6-9,12H2,1-5H3/b14-10-,15-11+.
What are the key properties of 1-[(2E,4Z)-2-methoxy-4,6-dimethylhepta-2,4-dienyl]-4-methylpiperazine?
1-[(2E,4Z)-2-methoxy-4,6-dimethylhepta-2,4-dienyl]-4-methylpiperazine has a molecular weight of 252.40 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-2-methoxy-4,6-dimethylhepta-2,4-dienyl]-4-methylpiperazine is sourced from PubChem (CID 134534587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).