4-hepta-2,4-dien-4-ylpiperidine

C12H21N — CID 123621676

IUPAC4-hepta-2,4-dien-4-ylpiperidine
SMILESCC=CC(=CCC)C1CCNCC1
InChIInChI=1S/C12H21N/c1-3-5-11(6-4-2)12-7-9-13-10-8-12/h3,5-6,12-13H,4,7-10H2,1-2H3
InChIKeyJXCLCAGBZDZHGB-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.90
Rot. Bonds3

About 4-hepta-2,4-dien-4-ylpiperidine

4-hepta-2,4-dien-4-ylpiperidine (PubChem CID 123621676) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 4-hepta-2,4-dien-4-ylpiperidine.

Molecular Properties

Compound Name4-hepta-2,4-dien-4-ylpiperidine
PubChem CID123621676
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name4-hepta-2,4-dien-4-ylpiperidine
SMILESCC=CC(=CCC)C1CCNCC1
InChIInChI=1S/C12H21N/c1-3-5-11(6-4-2)12-7-9-13-10-8-12/h3,5-6,12-13H,4,7-10H2,1-2H3
InChIKeyJXCLCAGBZDZHGB-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.90
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

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CID 4867470
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6-(Trifluoromethyl)-11-azabicyclo[7.3.1]trideca-2,4,6-triene
CID 69530943
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine
CID 88582935
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763
4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225
4-(4-Fluorocyclohexa-1,5-dien-1-yl)piperidine
CID 89358489
4-(4-Fluorocyclohexa-1,3-dien-1-yl)piperidine
CID 89358844
N-[(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)methyl]-2-methylpropan-1-amine
CID 90831730
4-[1-(2-Fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine
CID 91377758

Frequently Asked Questions

What is the IUPAC name of 4-hepta-2,4-dien-4-ylpiperidine?
The IUPAC name of 4-hepta-2,4-dien-4-ylpiperidine (CID 123621676) is 4-hepta-2,4-dien-4-ylpiperidine.
What is the SMILES notation for 4-hepta-2,4-dien-4-ylpiperidine?
The canonical SMILES for 4-hepta-2,4-dien-4-ylpiperidine is CC=CC(=CCC)C1CCNCC1.
What is the InChIKey of 4-hepta-2,4-dien-4-ylpiperidine?
The InChIKey is JXCLCAGBZDZHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-5-11(6-4-2)12-7-9-13-10-8-12/h3,5-6,12-13H,4,7-10H2,1-2H3.
What are the key properties of 4-hepta-2,4-dien-4-ylpiperidine?
4-hepta-2,4-dien-4-ylpiperidine has a molecular weight of 179.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hepta-2,4-dien-4-ylpiperidine is sourced from PubChem (CID 123621676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).