1-methyl-4-[(2E,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]oxypiperidine

C15H25NO — CID 175623760

IUPAC1-methyl-4-[(2E,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]oxypiperidine
SMILESC/C=C(C)\C=C/C(=C\C)OC1CCN(C)CC1
InChIInChI=1S/C15H25NO/c1-5-13(3)7-8-14(6-2)17-15-9-11-16(4)12-10-15/h5-8,15H,9-12H2,1-4H3/b8-7-,13-5-,14-6+
InChIKeyASXZHDWZHUEDMD-LSXQQJABSA-N
MW235.37 g/mol
LogP3.52
Rot. Bonds4

About 1-methyl-4-[(2E,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]oxypiperidine

1-methyl-4-[(2E,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]oxypiperidine (PubChem CID 175623760) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-methyl-4-[(2E,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]oxypiperidine.

Molecular Properties

Compound Name1-methyl-4-[(2E,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]oxypiperidine
PubChem CID175623760
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-methyl-4-[(2E,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]oxypiperidine
SMILESC/C=C(C)\C=C/C(=C\C)OC1CCN(C)CC1
InChIInChI=1S/C15H25NO/c1-5-13(3)7-8-14(6-2)17-15-9-11-16(4)12-10-15/h5-8,15H,9-12H2,1-4H3/b8-7-,13-5-,14-6+
InChIKeyASXZHDWZHUEDMD-LSXQQJABSA-N
XLogP3.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-4-[(2E,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]oxypiperidine?
The IUPAC name of 1-methyl-4-[(2E,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]oxypiperidine (CID 175623760) is 1-methyl-4-[(2E,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]oxypiperidine.
What is the SMILES notation for 1-methyl-4-[(2E,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]oxypiperidine?
The canonical SMILES for 1-methyl-4-[(2E,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]oxypiperidine is C/C=C(C)\C=C/C(=C\C)OC1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(2E,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]oxypiperidine?
The InChIKey is ASXZHDWZHUEDMD-LSXQQJABSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-13(3)7-8-14(6-2)17-15-9-11-16(4)12-10-15/h5-8,15H,9-12H2,1-4H3/b8-7-,13-5-,14-6+.
What are the key properties of 1-methyl-4-[(2E,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]oxypiperidine?
1-methyl-4-[(2E,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]oxypiperidine has a molecular weight of 235.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2E,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]oxypiperidine is sourced from PubChem (CID 175623760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).