1-[(2Z)-3-methoxy-5-methylhexa-2,4-dien-2-yl]-4-methylpiperazine

C13H24N2O — CID 139516222

IUPAC1-[(2Z)-3-methoxy-5-methylhexa-2,4-dien-2-yl]-4-methylpiperazine
SMILESCO/C(C=C(C)C)=C(/C)N1CCN(C)CC1
InChIInChI=1S/C13H24N2O/c1-11(2)10-13(16-5)12(3)15-8-6-14(4)7-9-15/h10H,6-9H2,1-5H3/b13-12-
InChIKeySGJDEGHZBNDYAJ-SEYXRHQNSA-N
MW224.35 g/mol
LogP2.08
Rot. Bonds3

About 1-[(2Z)-3-methoxy-5-methylhexa-2,4-dien-2-yl]-4-methylpiperazine

1-[(2Z)-3-methoxy-5-methylhexa-2,4-dien-2-yl]-4-methylpiperazine (PubChem CID 139516222) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[(2Z)-3-methoxy-5-methylhexa-2,4-dien-2-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2Z)-3-methoxy-5-methylhexa-2,4-dien-2-yl]-4-methylpiperazine
PubChem CID139516222
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[(2Z)-3-methoxy-5-methylhexa-2,4-dien-2-yl]-4-methylpiperazine
SMILESCO/C(C=C(C)C)=C(/C)N1CCN(C)CC1
InChIInChI=1S/C13H24N2O/c1-11(2)10-13(16-5)12(3)15-8-6-14(4)7-9-15/h10H,6-9H2,1-5H3/b13-12-
InChIKeySGJDEGHZBNDYAJ-SEYXRHQNSA-N
XLogP2.08
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.08
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2Z)-3-methoxy-5-methylhexa-2,4-dien-2-yl]-4-methylpiperazine?
The IUPAC name of 1-[(2Z)-3-methoxy-5-methylhexa-2,4-dien-2-yl]-4-methylpiperazine (CID 139516222) is 1-[(2Z)-3-methoxy-5-methylhexa-2,4-dien-2-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2Z)-3-methoxy-5-methylhexa-2,4-dien-2-yl]-4-methylpiperazine?
The canonical SMILES for 1-[(2Z)-3-methoxy-5-methylhexa-2,4-dien-2-yl]-4-methylpiperazine is CO/C(C=C(C)C)=C(/C)N1CCN(C)CC1.
What is the InChIKey of 1-[(2Z)-3-methoxy-5-methylhexa-2,4-dien-2-yl]-4-methylpiperazine?
The InChIKey is SGJDEGHZBNDYAJ-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(2)10-13(16-5)12(3)15-8-6-14(4)7-9-15/h10H,6-9H2,1-5H3/b13-12-.
What are the key properties of 1-[(2Z)-3-methoxy-5-methylhexa-2,4-dien-2-yl]-4-methylpiperazine?
1-[(2Z)-3-methoxy-5-methylhexa-2,4-dien-2-yl]-4-methylpiperazine has a molecular weight of 224.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-3-methoxy-5-methylhexa-2,4-dien-2-yl]-4-methylpiperazine is sourced from PubChem (CID 139516222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).