4-hexa-1,3,5-trien-3-ylpiperidine

C11H17N — CID 123221564

IUPAC4-hexa-1,3,5-trien-3-ylpiperidine
SMILESC=CC=C(C=C)C1CCNCC1
InChIInChI=1S/C11H17N/c1-3-5-10(4-2)11-6-8-12-9-7-11/h3-5,11-12H,1-2,6-9H2
InChIKeyKMLFSCIRPSLZSP-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.28
Rot. Bonds3

About 4-hexa-1,3,5-trien-3-ylpiperidine

4-hexa-1,3,5-trien-3-ylpiperidine (PubChem CID 123221564) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 4-hexa-1,3,5-trien-3-ylpiperidine.

Molecular Properties

Compound Name4-hexa-1,3,5-trien-3-ylpiperidine
PubChem CID123221564
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name4-hexa-1,3,5-trien-3-ylpiperidine
SMILESC=CC=C(C=C)C1CCNCC1
InChIInChI=1S/C11H17N/c1-3-5-10(4-2)11-6-8-12-9-7-11/h3-5,11-12H,1-2,6-9H2
InChIKeyKMLFSCIRPSLZSP-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Octahydro 4,4'-bipyridyl
CID 4867470
Pyridine, 1,2,3,6-tetrahydro-4-(4-piperidinyl)-
CID 5231471
Dihydroisoindoline
CID 18315888
1,2,3,4,10a,10b-Hexahydrobenzo[f]isoquinoline
CID 53797068
Hexahydroisoquinoline
CID 54394851
1-Methylenetetrahydroisoquinoline
CID 66925930
Octahydro-benz[g]isochinoline
CID 129648171
4-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine
CID 68363150
5-(Fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine
CID 69107959
6-(Trifluoromethyl)-11-azabicyclo[7.3.1]trideca-2,4,6-triene
CID 69530943
5,6-Difluoro-11-azabicyclo[7.3.1]trideca-2,4,6-triene
CID 69826954
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763

Frequently Asked Questions

What is the IUPAC name of 4-hexa-1,3,5-trien-3-ylpiperidine?
The IUPAC name of 4-hexa-1,3,5-trien-3-ylpiperidine (CID 123221564) is 4-hexa-1,3,5-trien-3-ylpiperidine.
What is the SMILES notation for 4-hexa-1,3,5-trien-3-ylpiperidine?
The canonical SMILES for 4-hexa-1,3,5-trien-3-ylpiperidine is C=CC=C(C=C)C1CCNCC1.
What is the InChIKey of 4-hexa-1,3,5-trien-3-ylpiperidine?
The InChIKey is KMLFSCIRPSLZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-3-5-10(4-2)11-6-8-12-9-7-11/h3-5,11-12H,1-2,6-9H2.
What are the key properties of 4-hexa-1,3,5-trien-3-ylpiperidine?
4-hexa-1,3,5-trien-3-ylpiperidine has a molecular weight of 163.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexa-1,3,5-trien-3-ylpiperidine is sourced from PubChem (CID 123221564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).