1-(4-hexa-1,3,5-trien-2-yloxybutyl)piperidine

C15H25NO — CID 72586536

IUPAC1-(4-hexa-1,3,5-trien-2-yloxybutyl)piperidine
SMILESC=CC=CC(=C)OCCCCN1CCCCC1
InChIInChI=1S/C15H25NO/c1-3-4-10-15(2)17-14-9-8-13-16-11-6-5-7-12-16/h3-4,10H,1-2,5-9,11-14H2
InChIKeyPRUCVEYVLYFZRR-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.53
Rot. Bonds8

About 1-(4-hexa-1,3,5-trien-2-yloxybutyl)piperidine

1-(4-hexa-1,3,5-trien-2-yloxybutyl)piperidine (PubChem CID 72586536) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(4-hexa-1,3,5-trien-2-yloxybutyl)piperidine.

Molecular Properties

Compound Name1-(4-hexa-1,3,5-trien-2-yloxybutyl)piperidine
PubChem CID72586536
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(4-hexa-1,3,5-trien-2-yloxybutyl)piperidine
SMILESC=CC=CC(=C)OCCCCN1CCCCC1
InChIInChI=1S/C15H25NO/c1-3-4-10-15(2)17-14-9-8-13-16-11-6-5-7-12-16/h3-4,10H,1-2,5-9,11-14H2
InChIKeyPRUCVEYVLYFZRR-UHFFFAOYSA-N
XLogP3.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hexa-1,3,5-trien-2-yloxybutyl)piperidine?
The IUPAC name of 1-(4-hexa-1,3,5-trien-2-yloxybutyl)piperidine (CID 72586536) is 1-(4-hexa-1,3,5-trien-2-yloxybutyl)piperidine.
What is the SMILES notation for 1-(4-hexa-1,3,5-trien-2-yloxybutyl)piperidine?
The canonical SMILES for 1-(4-hexa-1,3,5-trien-2-yloxybutyl)piperidine is C=CC=CC(=C)OCCCCN1CCCCC1.
What is the InChIKey of 1-(4-hexa-1,3,5-trien-2-yloxybutyl)piperidine?
The InChIKey is PRUCVEYVLYFZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-4-10-15(2)17-14-9-8-13-16-11-6-5-7-12-16/h3-4,10H,1-2,5-9,11-14H2.
What are the key properties of 1-(4-hexa-1,3,5-trien-2-yloxybutyl)piperidine?
1-(4-hexa-1,3,5-trien-2-yloxybutyl)piperidine has a molecular weight of 235.37 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexa-1,3,5-trien-2-yloxybutyl)piperidine is sourced from PubChem (CID 72586536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).