1-[(2E,6Z)-6-ethyl-2-methyldodeca-2,6-dienyl]piperidine

C20H37N — CID 139502020

IUPAC1-[(2E,6Z)-6-ethyl-2-methyldodeca-2,6-dienyl]piperidine
SMILESCCCCC/C=C(/CC)CC/C=C(\C)CN1CCCCC1
InChIInChI=1S/C20H37N/c1-4-6-7-9-14-20(5-2)15-12-13-19(3)18-21-16-10-8-11-17-21/h13-14H,4-12,15-18H2,1-3H3/b19-13+,20-14-
InChIKeyNBWDTAHXTJDXAG-JXTQQTEDSA-N
MW291.52 g/mol
LogP6.12
Rot. Bonds10

About 1-[(2E,6Z)-6-ethyl-2-methyldodeca-2,6-dienyl]piperidine

1-[(2E,6Z)-6-ethyl-2-methyldodeca-2,6-dienyl]piperidine (PubChem CID 139502020) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 1-[(2E,6Z)-6-ethyl-2-methyldodeca-2,6-dienyl]piperidine.

Molecular Properties

Compound Name1-[(2E,6Z)-6-ethyl-2-methyldodeca-2,6-dienyl]piperidine
PubChem CID139502020
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name1-[(2E,6Z)-6-ethyl-2-methyldodeca-2,6-dienyl]piperidine
SMILESCCCCC/C=C(/CC)CC/C=C(\C)CN1CCCCC1
InChIInChI=1S/C20H37N/c1-4-6-7-9-14-20(5-2)15-12-13-19(3)18-21-16-10-8-11-17-21/h13-14H,4-12,15-18H2,1-3H3/b19-13+,20-14-
InChIKeyNBWDTAHXTJDXAG-JXTQQTEDSA-N
XLogP6.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,6Z)-6-ethyl-2-methyldodeca-2,6-dienyl]piperidine?
The IUPAC name of 1-[(2E,6Z)-6-ethyl-2-methyldodeca-2,6-dienyl]piperidine (CID 139502020) is 1-[(2E,6Z)-6-ethyl-2-methyldodeca-2,6-dienyl]piperidine.
What is the SMILES notation for 1-[(2E,6Z)-6-ethyl-2-methyldodeca-2,6-dienyl]piperidine?
The canonical SMILES for 1-[(2E,6Z)-6-ethyl-2-methyldodeca-2,6-dienyl]piperidine is CCCCC/C=C(/CC)CC/C=C(\C)CN1CCCCC1.
What is the InChIKey of 1-[(2E,6Z)-6-ethyl-2-methyldodeca-2,6-dienyl]piperidine?
The InChIKey is NBWDTAHXTJDXAG-JXTQQTEDSA-N. The full InChI is InChI=1S/C20H37N/c1-4-6-7-9-14-20(5-2)15-12-13-19(3)18-21-16-10-8-11-17-21/h13-14H,4-12,15-18H2,1-3H3/b19-13+,20-14-.
What are the key properties of 1-[(2E,6Z)-6-ethyl-2-methyldodeca-2,6-dienyl]piperidine?
1-[(2E,6Z)-6-ethyl-2-methyldodeca-2,6-dienyl]piperidine has a molecular weight of 291.52 g/mol, XLogP of 6.12, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,6Z)-6-ethyl-2-methyldodeca-2,6-dienyl]piperidine is sourced from PubChem (CID 139502020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).