1-[(E)-3-[(Z)-2-cyclooctylethenyl]pent-3-en-2-yl]piperazine

C19H34N2 — CID 129043100

IUPAC1-[(E)-3-[(Z)-2-cyclooctylethenyl]pent-3-en-2-yl]piperazine
SMILESC/C=C(\C=C/C1CCCCCCC1)C(C)N1CCNCC1
InChIInChI=1S/C19H34N2/c1-3-19(17(2)21-15-13-20-14-16-21)12-11-18-9-7-5-4-6-8-10-18/h3,11-12,17-18,20H,4-10,13-16H2,1-2H3/b12-11-,19-3+
InChIKeyGNKWQCSAMJCAID-ZMLLEMRHSA-N
MW290.50 g/mol
LogP4.14
Rot. Bonds4

About 1-[(E)-3-[(Z)-2-cyclooctylethenyl]pent-3-en-2-yl]piperazine

1-[(E)-3-[(Z)-2-cyclooctylethenyl]pent-3-en-2-yl]piperazine (PubChem CID 129043100) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-[(E)-3-[(Z)-2-cyclooctylethenyl]pent-3-en-2-yl]piperazine.

Molecular Properties

Compound Name1-[(E)-3-[(Z)-2-cyclooctylethenyl]pent-3-en-2-yl]piperazine
PubChem CID129043100
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-[(E)-3-[(Z)-2-cyclooctylethenyl]pent-3-en-2-yl]piperazine
SMILESC/C=C(\C=C/C1CCCCCCC1)C(C)N1CCNCC1
InChIInChI=1S/C19H34N2/c1-3-19(17(2)21-15-13-20-14-16-21)12-11-18-9-7-5-4-6-8-10-18/h3,11-12,17-18,20H,4-10,13-16H2,1-2H3/b12-11-,19-3+
InChIKeyGNKWQCSAMJCAID-ZMLLEMRHSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
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-[(E)-3-[(Z)-2-cyclooctylethenyl]pent-3-en-2-yl]piperazine?
The IUPAC name of 1-[(E)-3-[(Z)-2-cyclooctylethenyl]pent-3-en-2-yl]piperazine (CID 129043100) is 1-[(E)-3-[(Z)-2-cyclooctylethenyl]pent-3-en-2-yl]piperazine.
What is the SMILES notation for 1-[(E)-3-[(Z)-2-cyclooctylethenyl]pent-3-en-2-yl]piperazine?
The canonical SMILES for 1-[(E)-3-[(Z)-2-cyclooctylethenyl]pent-3-en-2-yl]piperazine is C/C=C(\C=C/C1CCCCCCC1)C(C)N1CCNCC1.
What is the InChIKey of 1-[(E)-3-[(Z)-2-cyclooctylethenyl]pent-3-en-2-yl]piperazine?
The InChIKey is GNKWQCSAMJCAID-ZMLLEMRHSA-N. The full InChI is InChI=1S/C19H34N2/c1-3-19(17(2)21-15-13-20-14-16-21)12-11-18-9-7-5-4-6-8-10-18/h3,11-12,17-18,20H,4-10,13-16H2,1-2H3/b12-11-,19-3+.
What are the key properties of 1-[(E)-3-[(Z)-2-cyclooctylethenyl]pent-3-en-2-yl]piperazine?
1-[(E)-3-[(Z)-2-cyclooctylethenyl]pent-3-en-2-yl]piperazine has a molecular weight of 290.50 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-[(Z)-2-cyclooctylethenyl]pent-3-en-2-yl]piperazine is sourced from PubChem (CID 129043100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).