1-[(4Z,6E)-6-methoxy-3-methylideneocta-4,6-dienyl]-N-methylpiperidin-4-amine

C16H28N2O — CID 135293155

IUPAC1-[(4Z,6E)-6-methoxy-3-methylideneocta-4,6-dienyl]-N-methylpiperidin-4-amine
SMILESC=C(/C=C\C(=C/C)OC)CCN1CCC(NC)CC1
InChIInChI=1S/C16H28N2O/c1-5-16(19-4)7-6-14(2)8-11-18-12-9-15(17-3)10-13-18/h5-7,15,17H,2,8-13H2,1,3-4H3/b7-6-,16-5+
InChIKeyBUAXLRKTIIAWED-PIEALQRTSA-N
MW264.41 g/mol
LogP2.72
Rot. Bonds7

About 1-[(4Z,6E)-6-methoxy-3-methylideneocta-4,6-dienyl]-N-methylpiperidin-4-amine

1-[(4Z,6E)-6-methoxy-3-methylideneocta-4,6-dienyl]-N-methylpiperidin-4-amine (PubChem CID 135293155) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[(4Z,6E)-6-methoxy-3-methylideneocta-4,6-dienyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(4Z,6E)-6-methoxy-3-methylideneocta-4,6-dienyl]-N-methylpiperidin-4-amine
PubChem CID135293155
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[(4Z,6E)-6-methoxy-3-methylideneocta-4,6-dienyl]-N-methylpiperidin-4-amine
SMILESC=C(/C=C\C(=C/C)OC)CCN1CCC(NC)CC1
InChIInChI=1S/C16H28N2O/c1-5-16(19-4)7-6-14(2)8-11-18-12-9-15(17-3)10-13-18/h5-7,15,17H,2,8-13H2,1,3-4H3/b7-6-,16-5+
InChIKeyBUAXLRKTIIAWED-PIEALQRTSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
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,6E)-6-methoxy-3-methylideneocta-4,6-dienyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[(4Z,6E)-6-methoxy-3-methylideneocta-4,6-dienyl]-N-methylpiperidin-4-amine (CID 135293155) is 1-[(4Z,6E)-6-methoxy-3-methylideneocta-4,6-dienyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(4Z,6E)-6-methoxy-3-methylideneocta-4,6-dienyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[(4Z,6E)-6-methoxy-3-methylideneocta-4,6-dienyl]-N-methylpiperidin-4-amine is C=C(/C=C\C(=C/C)OC)CCN1CCC(NC)CC1.
What is the InChIKey of 1-[(4Z,6E)-6-methoxy-3-methylideneocta-4,6-dienyl]-N-methylpiperidin-4-amine?
The InChIKey is BUAXLRKTIIAWED-PIEALQRTSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-16(19-4)7-6-14(2)8-11-18-12-9-15(17-3)10-13-18/h5-7,15,17H,2,8-13H2,1,3-4H3/b7-6-,16-5+.
What are the key properties of 1-[(4Z,6E)-6-methoxy-3-methylideneocta-4,6-dienyl]-N-methylpiperidin-4-amine?
1-[(4Z,6E)-6-methoxy-3-methylideneocta-4,6-dienyl]-N-methylpiperidin-4-amine has a molecular weight of 264.41 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z,6E)-6-methoxy-3-methylideneocta-4,6-dienyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 135293155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).