1-[(4Z)-4-ethenylhepta-4,6-dienyl]-4-(2-ethoxyethyl)piperazine

C17H30N2O — CID 177020946

IUPAC1-[(4Z)-4-ethenylhepta-4,6-dienyl]-4-(2-ethoxyethyl)piperazine
SMILESC=C/C=C(\C=C)CCCN1CCN(CCOCC)CC1
InChIInChI=1S/C17H30N2O/c1-4-8-17(5-2)9-7-10-18-11-13-19(14-12-18)15-16-20-6-3/h4-5,8H,1-2,6-7,9-16H2,3H3/b17-8+
InChIKeyVWCBRIVDUZXHQZ-CAOOACKPSA-N
MW278.44 g/mol
LogP2.72
Rot. Bonds10

About 1-[(4Z)-4-ethenylhepta-4,6-dienyl]-4-(2-ethoxyethyl)piperazine

1-[(4Z)-4-ethenylhepta-4,6-dienyl]-4-(2-ethoxyethyl)piperazine (PubChem CID 177020946) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[(4Z)-4-ethenylhepta-4,6-dienyl]-4-(2-ethoxyethyl)piperazine.

Molecular Properties

Compound Name1-[(4Z)-4-ethenylhepta-4,6-dienyl]-4-(2-ethoxyethyl)piperazine
PubChem CID177020946
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-[(4Z)-4-ethenylhepta-4,6-dienyl]-4-(2-ethoxyethyl)piperazine
SMILESC=C/C=C(\C=C)CCCN1CCN(CCOCC)CC1
InChIInChI=1S/C17H30N2O/c1-4-8-17(5-2)9-7-10-18-11-13-19(14-12-18)15-16-20-6-3/h4-5,8H,1-2,6-7,9-16H2,3H3/b17-8+
InChIKeyVWCBRIVDUZXHQZ-CAOOACKPSA-N
XLogP2.72
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[(4Z)-4-ethenylhepta-4,6-dienyl]-4-(2-ethoxyethyl)piperazine?
The IUPAC name of 1-[(4Z)-4-ethenylhepta-4,6-dienyl]-4-(2-ethoxyethyl)piperazine (CID 177020946) is 1-[(4Z)-4-ethenylhepta-4,6-dienyl]-4-(2-ethoxyethyl)piperazine.
What is the SMILES notation for 1-[(4Z)-4-ethenylhepta-4,6-dienyl]-4-(2-ethoxyethyl)piperazine?
The canonical SMILES for 1-[(4Z)-4-ethenylhepta-4,6-dienyl]-4-(2-ethoxyethyl)piperazine is C=C/C=C(\C=C)CCCN1CCN(CCOCC)CC1.
What is the InChIKey of 1-[(4Z)-4-ethenylhepta-4,6-dienyl]-4-(2-ethoxyethyl)piperazine?
The InChIKey is VWCBRIVDUZXHQZ-CAOOACKPSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-8-17(5-2)9-7-10-18-11-13-19(14-12-18)15-16-20-6-3/h4-5,8H,1-2,6-7,9-16H2,3H3/b17-8+.
What are the key properties of 1-[(4Z)-4-ethenylhepta-4,6-dienyl]-4-(2-ethoxyethyl)piperazine?
1-[(4Z)-4-ethenylhepta-4,6-dienyl]-4-(2-ethoxyethyl)piperazine has a molecular weight of 278.44 g/mol, XLogP of 2.72, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z)-4-ethenylhepta-4,6-dienyl]-4-(2-ethoxyethyl)piperazine is sourced from PubChem (CID 177020946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).