1-[(2E)-4-(cyclopropylmethoxy)penta-2,4-dien-2-yl]-4-[(3E)-3-ethenyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazine

C23H33FN2O — CID 88576754

IUPAC1-[(2E)-4-(cyclopropylmethoxy)penta-2,4-dien-2-yl]-4-[(3E)-3-ethenyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazine
SMILESC=C/C(=C\C(F)=C(C)C)C(=C)N1CCN(/C(C)=C/C(=C)OCC2CC2)CC1
InChIInChI=1S/C23H33FN2O/c1-7-22(15-23(24)17(2)3)20(6)26-12-10-25(11-13-26)18(4)14-19(5)27-16-21-8-9-21/h7,14-15,21H,1,5-6,8-13,16H2,2-4H3/b18-14+,22-15+
InChIKeyWZXGOKCEEUIARF-SDPONSEZSA-N
MW372.53 g/mol
LogP5.34
Rot. Bonds9

About 1-[(2E)-4-(cyclopropylmethoxy)penta-2,4-dien-2-yl]-4-[(3E)-3-ethenyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazine

1-[(2E)-4-(cyclopropylmethoxy)penta-2,4-dien-2-yl]-4-[(3E)-3-ethenyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazine (PubChem CID 88576754) has the molecular formula C23H33FN2O and a molecular weight of 372.53 g/mol. Its IUPAC name is 1-[(2E)-4-(cyclopropylmethoxy)penta-2,4-dien-2-yl]-4-[(3E)-3-ethenyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazine.

Molecular Properties

Compound Name1-[(2E)-4-(cyclopropylmethoxy)penta-2,4-dien-2-yl]-4-[(3E)-3-ethenyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazine
PubChem CID88576754
Molecular FormulaC23H33FN2O
Molecular Weight372.53 g/mol
Exact Mass372.26
IUPAC Name1-[(2E)-4-(cyclopropylmethoxy)penta-2,4-dien-2-yl]-4-[(3E)-3-ethenyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazine
SMILESC=C/C(=C\C(F)=C(C)C)C(=C)N1CCN(/C(C)=C/C(=C)OCC2CC2)CC1
InChIInChI=1S/C23H33FN2O/c1-7-22(15-23(24)17(2)3)20(6)26-12-10-25(11-13-26)18(4)14-19(5)27-16-21-8-9-21/h7,14-15,21H,1,5-6,8-13,16H2,2-4H3/b18-14+,22-15+
InChIKeyWZXGOKCEEUIARF-SDPONSEZSA-N
XLogP5.34
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.53
LogP ≤ 55.34
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)-4-(cyclopropylmethoxy)penta-2,4-dien-2-yl]-4-[(3E)-3-ethenyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazine 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)-4-(cyclopropylmethoxy)penta-2,4-dien-2-yl]-4-[(3E)-3-ethenyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazine?
The IUPAC name of 1-[(2E)-4-(cyclopropylmethoxy)penta-2,4-dien-2-yl]-4-[(3E)-3-ethenyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazine (CID 88576754) is 1-[(2E)-4-(cyclopropylmethoxy)penta-2,4-dien-2-yl]-4-[(3E)-3-ethenyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazine.
What is the SMILES notation for 1-[(2E)-4-(cyclopropylmethoxy)penta-2,4-dien-2-yl]-4-[(3E)-3-ethenyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazine?
The canonical SMILES for 1-[(2E)-4-(cyclopropylmethoxy)penta-2,4-dien-2-yl]-4-[(3E)-3-ethenyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazine is C=C/C(=C\C(F)=C(C)C)C(=C)N1CCN(/C(C)=C/C(=C)OCC2CC2)CC1.
What is the InChIKey of 1-[(2E)-4-(cyclopropylmethoxy)penta-2,4-dien-2-yl]-4-[(3E)-3-ethenyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazine?
The InChIKey is WZXGOKCEEUIARF-SDPONSEZSA-N. The full InChI is InChI=1S/C23H33FN2O/c1-7-22(15-23(24)17(2)3)20(6)26-12-10-25(11-13-26)18(4)14-19(5)27-16-21-8-9-21/h7,14-15,21H,1,5-6,8-13,16H2,2-4H3/b18-14+,22-15+.
What are the key properties of 1-[(2E)-4-(cyclopropylmethoxy)penta-2,4-dien-2-yl]-4-[(3E)-3-ethenyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazine?
1-[(2E)-4-(cyclopropylmethoxy)penta-2,4-dien-2-yl]-4-[(3E)-3-ethenyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazine has a molecular weight of 372.53 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-4-(cyclopropylmethoxy)penta-2,4-dien-2-yl]-4-[(3E)-3-ethenyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazine is sourced from PubChem (CID 88576754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).