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'}

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Related Compounds

CID 144088507
CID 144088507
CID 24977664
CID 24977664
CID 88905167
CID 88905167
CID 88905275
CID 88905275
CID 123623384
CID 123623384
CID 123648617
CID 123648617
CID 123812075
CID 123812075
CID 134340578
CID 134340578
CID 134340843
CID 134340843
CID 134340952
CID 134340952
CID 134340963
CID 134340963
CID 137427471
CID 137427471

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).