1-methyl-4-[(2E,4E)-2-[(Z)-prop-1-enyl]hepta-2,4-dienyl]piperazine

C15H26N2 — CID 143115310

IUPAC1-methyl-4-[(2E,4E)-2-[(Z)-prop-1-enyl]hepta-2,4-dienyl]piperazine
SMILESC/C=C\C(=C/C=C/CC)CN1CCN(C)CC1
InChIInChI=1S/C15H26N2/c1-4-6-7-9-15(8-5-2)14-17-12-10-16(3)11-13-17/h5-9H,4,10-14H2,1-3H3/b7-6+,8-5-,15-9+
InChIKeyWXOFTPHESGYQBE-KFWCUIQDSA-N
MW234.39 g/mol
LogP2.70
Rot. Bonds5

About 1-methyl-4-[(2E,4E)-2-[(Z)-prop-1-enyl]hepta-2,4-dienyl]piperazine

1-methyl-4-[(2E,4E)-2-[(Z)-prop-1-enyl]hepta-2,4-dienyl]piperazine (PubChem CID 143115310) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-methyl-4-[(2E,4E)-2-[(Z)-prop-1-enyl]hepta-2,4-dienyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(2E,4E)-2-[(Z)-prop-1-enyl]hepta-2,4-dienyl]piperazine
PubChem CID143115310
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-methyl-4-[(2E,4E)-2-[(Z)-prop-1-enyl]hepta-2,4-dienyl]piperazine
SMILESC/C=C\C(=C/C=C/CC)CN1CCN(C)CC1
InChIInChI=1S/C15H26N2/c1-4-6-7-9-15(8-5-2)14-17-12-10-16(3)11-13-17/h5-9H,4,10-14H2,1-3H3/b7-6+,8-5-,15-9+
InChIKeyWXOFTPHESGYQBE-KFWCUIQDSA-N
XLogP2.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2E,4E)-2-[(Z)-prop-1-enyl]hepta-2,4-dienyl]piperazine?
The IUPAC name of 1-methyl-4-[(2E,4E)-2-[(Z)-prop-1-enyl]hepta-2,4-dienyl]piperazine (CID 143115310) is 1-methyl-4-[(2E,4E)-2-[(Z)-prop-1-enyl]hepta-2,4-dienyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(2E,4E)-2-[(Z)-prop-1-enyl]hepta-2,4-dienyl]piperazine?
The canonical SMILES for 1-methyl-4-[(2E,4E)-2-[(Z)-prop-1-enyl]hepta-2,4-dienyl]piperazine is C/C=C\C(=C/C=C/CC)CN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(2E,4E)-2-[(Z)-prop-1-enyl]hepta-2,4-dienyl]piperazine?
The InChIKey is WXOFTPHESGYQBE-KFWCUIQDSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-6-7-9-15(8-5-2)14-17-12-10-16(3)11-13-17/h5-9H,4,10-14H2,1-3H3/b7-6+,8-5-,15-9+.
What are the key properties of 1-methyl-4-[(2E,4E)-2-[(Z)-prop-1-enyl]hepta-2,4-dienyl]piperazine?
1-methyl-4-[(2E,4E)-2-[(Z)-prop-1-enyl]hepta-2,4-dienyl]piperazine has a molecular weight of 234.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2E,4E)-2-[(Z)-prop-1-enyl]hepta-2,4-dienyl]piperazine is sourced from PubChem (CID 143115310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).