1-[3-[(2E,4E)-1-methoxyhepta-2,4-dien-2-yl]oxypropyl]-4-propylpiperazine

C18H34N2O2 — CID 126727657

IUPAC1-[3-[(2E,4E)-1-methoxyhepta-2,4-dien-2-yl]oxypropyl]-4-propylpiperazine
SMILESCC/C=C/C=C(\COC)OCCCN1CCN(CCC)CC1
InChIInChI=1S/C18H34N2O2/c1-4-6-7-9-18(17-21-3)22-16-8-11-20-14-12-19(10-5-2)13-15-20/h6-7,9H,4-5,8,10-17H2,1-3H3/b7-6+,18-9+
InChIKeyGMBHKEGMFZHKRC-VNDALFFJSA-N
MW310.48 g/mol
LogP2.92
Rot. Bonds11

About 1-[3-[(2E,4E)-1-methoxyhepta-2,4-dien-2-yl]oxypropyl]-4-propylpiperazine

1-[3-[(2E,4E)-1-methoxyhepta-2,4-dien-2-yl]oxypropyl]-4-propylpiperazine (PubChem CID 126727657) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-[3-[(2E,4E)-1-methoxyhepta-2,4-dien-2-yl]oxypropyl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[3-[(2E,4E)-1-methoxyhepta-2,4-dien-2-yl]oxypropyl]-4-propylpiperazine
PubChem CID126727657
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name1-[3-[(2E,4E)-1-methoxyhepta-2,4-dien-2-yl]oxypropyl]-4-propylpiperazine
SMILESCC/C=C/C=C(\COC)OCCCN1CCN(CCC)CC1
InChIInChI=1S/C18H34N2O2/c1-4-6-7-9-18(17-21-3)22-16-8-11-20-14-12-19(10-5-2)13-15-20/h6-7,9H,4-5,8,10-17H2,1-3H3/b7-6+,18-9+
InChIKeyGMBHKEGMFZHKRC-VNDALFFJSA-N
XLogP2.92
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.92
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-[(2E,4E)-1-methoxyhepta-2,4-dien-2-yl]oxypropyl]-4-propylpiperazine?
The IUPAC name of 1-[3-[(2E,4E)-1-methoxyhepta-2,4-dien-2-yl]oxypropyl]-4-propylpiperazine (CID 126727657) is 1-[3-[(2E,4E)-1-methoxyhepta-2,4-dien-2-yl]oxypropyl]-4-propylpiperazine.
What is the SMILES notation for 1-[3-[(2E,4E)-1-methoxyhepta-2,4-dien-2-yl]oxypropyl]-4-propylpiperazine?
The canonical SMILES for 1-[3-[(2E,4E)-1-methoxyhepta-2,4-dien-2-yl]oxypropyl]-4-propylpiperazine is CC/C=C/C=C(\COC)OCCCN1CCN(CCC)CC1.
What is the InChIKey of 1-[3-[(2E,4E)-1-methoxyhepta-2,4-dien-2-yl]oxypropyl]-4-propylpiperazine?
The InChIKey is GMBHKEGMFZHKRC-VNDALFFJSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-4-6-7-9-18(17-21-3)22-16-8-11-20-14-12-19(10-5-2)13-15-20/h6-7,9H,4-5,8,10-17H2,1-3H3/b7-6+,18-9+.
What are the key properties of 1-[3-[(2E,4E)-1-methoxyhepta-2,4-dien-2-yl]oxypropyl]-4-propylpiperazine?
1-[3-[(2E,4E)-1-methoxyhepta-2,4-dien-2-yl]oxypropyl]-4-propylpiperazine has a molecular weight of 310.48 g/mol, XLogP of 2.92, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2E,4E)-1-methoxyhepta-2,4-dien-2-yl]oxypropyl]-4-propylpiperazine is sourced from PubChem (CID 126727657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).