1-[(4Z)-4-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-2-methylhepta-4,6-dienyl]piperidine

C19H33NO2 — CID 129295937

IUPAC1-[(4Z)-4-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-2-methylhepta-4,6-dienyl]piperidine
SMILESC=C/C=C(\C=C(/COC)OCC)CC(C)CN1CCCCC1
InChIInChI=1S/C19H33NO2/c1-5-10-18(14-19(16-21-4)22-6-2)13-17(3)15-20-11-8-7-9-12-20/h5,10,14,17H,1,6-9,11-13,15-16H2,2-4H3/b18-10-,19-14+
InChIKeyXKZXMJFWANYIMF-PIMHQISDSA-N
MW307.48 g/mol
LogP4.18
Rot. Bonds10

About 1-[(4Z)-4-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-2-methylhepta-4,6-dienyl]piperidine

1-[(4Z)-4-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-2-methylhepta-4,6-dienyl]piperidine (PubChem CID 129295937) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 1-[(4Z)-4-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-2-methylhepta-4,6-dienyl]piperidine.

Molecular Properties

Compound Name1-[(4Z)-4-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-2-methylhepta-4,6-dienyl]piperidine
PubChem CID129295937
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name1-[(4Z)-4-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-2-methylhepta-4,6-dienyl]piperidine
SMILESC=C/C=C(\C=C(/COC)OCC)CC(C)CN1CCCCC1
InChIInChI=1S/C19H33NO2/c1-5-10-18(14-19(16-21-4)22-6-2)13-17(3)15-20-11-8-7-9-12-20/h5,10,14,17H,1,6-9,11-13,15-16H2,2-4H3/b18-10-,19-14+
InChIKeyXKZXMJFWANYIMF-PIMHQISDSA-N
XLogP4.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-2-methylhepta-4,6-dienyl]piperidine?
The IUPAC name of 1-[(4Z)-4-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-2-methylhepta-4,6-dienyl]piperidine (CID 129295937) is 1-[(4Z)-4-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-2-methylhepta-4,6-dienyl]piperidine.
What is the SMILES notation for 1-[(4Z)-4-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-2-methylhepta-4,6-dienyl]piperidine?
The canonical SMILES for 1-[(4Z)-4-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-2-methylhepta-4,6-dienyl]piperidine is C=C/C=C(\C=C(/COC)OCC)CC(C)CN1CCCCC1.
What is the InChIKey of 1-[(4Z)-4-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-2-methylhepta-4,6-dienyl]piperidine?
The InChIKey is XKZXMJFWANYIMF-PIMHQISDSA-N. The full InChI is InChI=1S/C19H33NO2/c1-5-10-18(14-19(16-21-4)22-6-2)13-17(3)15-20-11-8-7-9-12-20/h5,10,14,17H,1,6-9,11-13,15-16H2,2-4H3/b18-10-,19-14+.
What are the key properties of 1-[(4Z)-4-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-2-methylhepta-4,6-dienyl]piperidine?
1-[(4Z)-4-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-2-methylhepta-4,6-dienyl]piperidine has a molecular weight of 307.48 g/mol, XLogP of 4.18, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z)-4-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-2-methylhepta-4,6-dienyl]piperidine is sourced from PubChem (CID 129295937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).