1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-4-yl]-N,N-dimethylpiperidin-4-amine

C15H26N2O — CID 144787335

IUPAC1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-4-yl]-N,N-dimethylpiperidin-4-amine
SMILESC=C/C=C(\C=C(/C)OC)N1CCC(N(C)C)CC1
InChIInChI=1S/C15H26N2O/c1-6-7-15(12-13(2)18-5)17-10-8-14(9-11-17)16(3)4/h6-7,12,14H,1,8-11H2,2-5H3/b13-12+,15-7+
InChIKeyHUURJVHKTLGWMT-PZKFFSPBSA-N
MW250.39 g/mol
LogP2.63
Rot. Bonds5

About 1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-4-yl]-N,N-dimethylpiperidin-4-amine

1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-4-yl]-N,N-dimethylpiperidin-4-amine (PubChem CID 144787335) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-4-yl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-4-yl]-N,N-dimethylpiperidin-4-amine
PubChem CID144787335
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-4-yl]-N,N-dimethylpiperidin-4-amine
SMILESC=C/C=C(\C=C(/C)OC)N1CCC(N(C)C)CC1
InChIInChI=1S/C15H26N2O/c1-6-7-15(12-13(2)18-5)17-10-8-14(9-11-17)16(3)4/h6-7,12,14H,1,8-11H2,2-5H3/b13-12+,15-7+
InChIKeyHUURJVHKTLGWMT-PZKFFSPBSA-N
XLogP2.63
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.63
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-[(3E,5E)-6-methoxyhepta-1,3,5-trien-4-yl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-4-yl]-N,N-dimethylpiperidin-4-amine (CID 144787335) is 1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-4-yl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-4-yl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-4-yl]-N,N-dimethylpiperidin-4-amine is C=C/C=C(\C=C(/C)OC)N1CCC(N(C)C)CC1.
What is the InChIKey of 1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-4-yl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is HUURJVHKTLGWMT-PZKFFSPBSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-7-15(12-13(2)18-5)17-10-8-14(9-11-17)16(3)4/h6-7,12,14H,1,8-11H2,2-5H3/b13-12+,15-7+.
What are the key properties of 1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-4-yl]-N,N-dimethylpiperidin-4-amine?
1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-4-yl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 250.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-4-yl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 144787335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).