3-hepta-2,4-dien-3-ylpiperidine

C12H21N — CID 123342577

IUPAC3-hepta-2,4-dien-3-ylpiperidine
SMILESCC=C(C=CCC)C1CCCNC1
InChIInChI=1S/C12H21N/c1-3-5-7-11(4-2)12-8-6-9-13-10-12/h4-5,7,12-13H,3,6,8-10H2,1-2H3
InChIKeyWIVDDDXOBWCHEI-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.90
Rot. Bonds3

About 3-hepta-2,4-dien-3-ylpiperidine

3-hepta-2,4-dien-3-ylpiperidine (PubChem CID 123342577) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3-hepta-2,4-dien-3-ylpiperidine.

Molecular Properties

Compound Name3-hepta-2,4-dien-3-ylpiperidine
PubChem CID123342577
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3-hepta-2,4-dien-3-ylpiperidine
SMILESCC=C(C=CCC)C1CCCNC1
InChIInChI=1S/C12H21N/c1-3-5-7-11(4-2)12-8-6-9-13-10-12/h4-5,7,12-13H,3,6,8-10H2,1-2H3
InChIKeyWIVDDDXOBWCHEI-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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Frequently Asked Questions

What is the IUPAC name of 3-hepta-2,4-dien-3-ylpiperidine?
The IUPAC name of 3-hepta-2,4-dien-3-ylpiperidine (CID 123342577) is 3-hepta-2,4-dien-3-ylpiperidine.
What is the SMILES notation for 3-hepta-2,4-dien-3-ylpiperidine?
The canonical SMILES for 3-hepta-2,4-dien-3-ylpiperidine is CC=C(C=CCC)C1CCCNC1.
What is the InChIKey of 3-hepta-2,4-dien-3-ylpiperidine?
The InChIKey is WIVDDDXOBWCHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-5-7-11(4-2)12-8-6-9-13-10-12/h4-5,7,12-13H,3,6,8-10H2,1-2H3.
What are the key properties of 3-hepta-2,4-dien-3-ylpiperidine?
3-hepta-2,4-dien-3-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 3-hepta-2,4-dien-3-ylpiperidine is sourced from PubChem (CID 123342577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).