1-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine

C14H21NO — CID 146604716

IUPAC1-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine
SMILESC=C/C=C\C(=C/C=C)OC1CCN(C)CC1
InChIInChI=1S/C14H21NO/c1-4-6-8-13(7-5-2)16-14-9-11-15(3)12-10-14/h4-8,14H,1-2,9-12H2,3H3/b8-6-,13-7+
InChIKeyBBGSCXYBVUXWGE-WNDPTYLVSA-N
MW219.33 g/mol
LogP2.91
Rot. Bonds5

About 1-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine

1-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine (PubChem CID 146604716) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine.

Molecular Properties

Compound Name1-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine
PubChem CID146604716
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine
SMILESC=C/C=C\C(=C/C=C)OC1CCN(C)CC1
InChIInChI=1S/C14H21NO/c1-4-6-8-13(7-5-2)16-14-9-11-15(3)12-10-14/h4-8,14H,1-2,9-12H2,3H3/b8-6-,13-7+
InChIKeyBBGSCXYBVUXWGE-WNDPTYLVSA-N
XLogP2.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.91
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'}

Analyze 1-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine?
The IUPAC name of 1-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine (CID 146604716) is 1-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine.
What is the SMILES notation for 1-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine?
The canonical SMILES for 1-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine is C=C/C=C\C(=C/C=C)OC1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine?
The InChIKey is BBGSCXYBVUXWGE-WNDPTYLVSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-6-8-13(7-5-2)16-14-9-11-15(3)12-10-14/h4-8,14H,1-2,9-12H2,3H3/b8-6-,13-7+.
What are the key properties of 1-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine?
1-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine has a molecular weight of 219.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine is sourced from PubChem (CID 146604716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).