1-[3-(4-methoxyhexa-2,4-dien-3-yloxy)propyl]-4-methylpiperazine

C15H28N2O2 — CID 123476847

IUPAC1-[3-(4-methoxyhexa-2,4-dien-3-yloxy)propyl]-4-methylpiperazine
SMILESCC=C(OC)C(=CC)OCCCN1CCN(C)CC1
InChIInChI=1S/C15H28N2O2/c1-5-14(18-4)15(6-2)19-13-7-8-17-11-9-16(3)10-12-17/h5-6H,7-13H2,1-4H3
InChIKeyFOHIGZLHZLKAGX-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.09
Rot. Bonds7

About 1-[3-(4-methoxyhexa-2,4-dien-3-yloxy)propyl]-4-methylpiperazine

1-[3-(4-methoxyhexa-2,4-dien-3-yloxy)propyl]-4-methylpiperazine (PubChem CID 123476847) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[3-(4-methoxyhexa-2,4-dien-3-yloxy)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(4-methoxyhexa-2,4-dien-3-yloxy)propyl]-4-methylpiperazine
PubChem CID123476847
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[3-(4-methoxyhexa-2,4-dien-3-yloxy)propyl]-4-methylpiperazine
SMILESCC=C(OC)C(=CC)OCCCN1CCN(C)CC1
InChIInChI=1S/C15H28N2O2/c1-5-14(18-4)15(6-2)19-13-7-8-17-11-9-16(3)10-12-17/h5-6H,7-13H2,1-4H3
InChIKeyFOHIGZLHZLKAGX-UHFFFAOYSA-N
XLogP2.09
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyhexa-2,4-dien-3-yloxy)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(4-methoxyhexa-2,4-dien-3-yloxy)propyl]-4-methylpiperazine (CID 123476847) is 1-[3-(4-methoxyhexa-2,4-dien-3-yloxy)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(4-methoxyhexa-2,4-dien-3-yloxy)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(4-methoxyhexa-2,4-dien-3-yloxy)propyl]-4-methylpiperazine is CC=C(OC)C(=CC)OCCCN1CCN(C)CC1.
What is the InChIKey of 1-[3-(4-methoxyhexa-2,4-dien-3-yloxy)propyl]-4-methylpiperazine?
The InChIKey is FOHIGZLHZLKAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-14(18-4)15(6-2)19-13-7-8-17-11-9-16(3)10-12-17/h5-6H,7-13H2,1-4H3.
What are the key properties of 1-[3-(4-methoxyhexa-2,4-dien-3-yloxy)propyl]-4-methylpiperazine?
1-[3-(4-methoxyhexa-2,4-dien-3-yloxy)propyl]-4-methylpiperazine has a molecular weight of 268.40 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyhexa-2,4-dien-3-yloxy)propyl]-4-methylpiperazine is sourced from PubChem (CID 123476847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).