1-hepta-2,4,6-trien-3-ylpiperidine

C12H19N — CID 123651671

IUPAC1-hepta-2,4,6-trien-3-ylpiperidine
SMILESC=CC=CC(=CC)N1CCCCC1
InChIInChI=1S/C12H19N/c1-3-5-9-12(4-2)13-10-7-6-8-11-13/h3-5,9H,1,6-8,10-11H2,2H3
InChIKeyKWELJFLCGQKBRG-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.12
Rot. Bonds3

About 1-hepta-2,4,6-trien-3-ylpiperidine

1-hepta-2,4,6-trien-3-ylpiperidine (PubChem CID 123651671) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-hepta-2,4,6-trien-3-ylpiperidine.

Molecular Properties

Compound Name1-hepta-2,4,6-trien-3-ylpiperidine
PubChem CID123651671
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-hepta-2,4,6-trien-3-ylpiperidine
SMILESC=CC=CC(=CC)N1CCCCC1
InChIInChI=1S/C12H19N/c1-3-5-9-12(4-2)13-10-7-6-8-11-13/h3-5,9H,1,6-8,10-11H2,2H3
InChIKeyKWELJFLCGQKBRG-UHFFFAOYSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 79100
1-Butyl-4-(dimethylamino)pyridine
CID 23048244
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1-But-2-en-2-yl-4-fluoropiperidine
CID 91114057
4-fluoro-1-[(3E)-3-methylpenta-1,3-dien-2-yl]piperidine
CID 135265902
(2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine
CID 156739146
1-Ethyl-1-penta-2,4-dienylpiperidin-1-ium
CID 4337893
1-Ethyl-1-(penta-2,4-dien-1-yl)piperidin-1-ium bromide
CID 53428117
1-[(3E)-5-methylhexa-1,3-dien-2-yl]piperidine
CID 11805332
Piperidine, 1-[4-methyl-1,3-pentadien-1-yl]-
CID 91711582
1-[(Z)-but-2-enyl]piperidine
CID 11147762
Magnesium;1-phenylpiperidine;bromide
CID 12136717

Frequently Asked Questions

What is the IUPAC name of 1-hepta-2,4,6-trien-3-ylpiperidine?
The IUPAC name of 1-hepta-2,4,6-trien-3-ylpiperidine (CID 123651671) is 1-hepta-2,4,6-trien-3-ylpiperidine.
What is the SMILES notation for 1-hepta-2,4,6-trien-3-ylpiperidine?
The canonical SMILES for 1-hepta-2,4,6-trien-3-ylpiperidine is C=CC=CC(=CC)N1CCCCC1.
What is the InChIKey of 1-hepta-2,4,6-trien-3-ylpiperidine?
The InChIKey is KWELJFLCGQKBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-3-5-9-12(4-2)13-10-7-6-8-11-13/h3-5,9H,1,6-8,10-11H2,2H3.
What are the key properties of 1-hepta-2,4,6-trien-3-ylpiperidine?
1-hepta-2,4,6-trien-3-ylpiperidine has a molecular weight of 177.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hepta-2,4,6-trien-3-ylpiperidine is sourced from PubChem (CID 123651671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).