2-methyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1-(oxetan-3-yl)piperazine

C15H24N2O — CID 139353659

IUPAC2-methyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1-(oxetan-3-yl)piperazine
SMILESC=C(C)/C=C\C(=C)N1CCN(C2COC2)C(C)C1
InChIInChI=1S/C15H24N2O/c1-12(2)5-6-13(3)16-7-8-17(14(4)9-16)15-10-18-11-15/h5-6,14-15H,1,3,7-11H2,2,4H3/b6-5-
InChIKeyRDKLCAJAPXIBHO-WAYWQWQTSA-N
MW248.37 g/mol
LogP2.04
Rot. Bonds4

About 2-methyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1-(oxetan-3-yl)piperazine

2-methyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1-(oxetan-3-yl)piperazine (PubChem CID 139353659) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Name2-methyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1-(oxetan-3-yl)piperazine
PubChem CID139353659
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-methyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1-(oxetan-3-yl)piperazine
SMILESC=C(C)/C=C\C(=C)N1CCN(C2COC2)C(C)C1
InChIInChI=1S/C15H24N2O/c1-12(2)5-6-13(3)16-7-8-17(14(4)9-16)15-10-18-11-15/h5-6,14-15H,1,3,7-11H2,2,4H3/b6-5-
InChIKeyRDKLCAJAPXIBHO-WAYWQWQTSA-N
XLogP2.04
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-methyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1-(oxetan-3-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 2-methyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1-(oxetan-3-yl)piperazine?
The IUPAC name of 2-methyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1-(oxetan-3-yl)piperazine (CID 139353659) is 2-methyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1-(oxetan-3-yl)piperazine.
What is the SMILES notation for 2-methyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1-(oxetan-3-yl)piperazine?
The canonical SMILES for 2-methyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1-(oxetan-3-yl)piperazine is C=C(C)/C=C\C(=C)N1CCN(C2COC2)C(C)C1.
What is the InChIKey of 2-methyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1-(oxetan-3-yl)piperazine?
The InChIKey is RDKLCAJAPXIBHO-WAYWQWQTSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)5-6-13(3)16-7-8-17(14(4)9-16)15-10-18-11-15/h5-6,14-15H,1,3,7-11H2,2,4H3/b6-5-.
What are the key properties of 2-methyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1-(oxetan-3-yl)piperazine?
2-methyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1-(oxetan-3-yl)piperazine has a molecular weight of 248.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1-(oxetan-3-yl)piperazine is sourced from PubChem (CID 139353659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).