4-hepta-1,3,5-trien-3-yloxypiperidine

C12H19NO — CID 90980595

IUPAC4-hepta-1,3,5-trien-3-yloxypiperidine
SMILESC=CC(=CC=CC)OC1CCNCC1
InChIInChI=1S/C12H19NO/c1-3-5-6-11(4-2)14-12-7-9-13-10-8-12/h3-6,12-13H,2,7-10H2,1H3
InChIKeyWAVSXMVJYWOOKO-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.40
Rot. Bonds4

About 4-hepta-1,3,5-trien-3-yloxypiperidine

4-hepta-1,3,5-trien-3-yloxypiperidine (PubChem CID 90980595) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-hepta-1,3,5-trien-3-yloxypiperidine.

Molecular Properties

Compound Name4-hepta-1,3,5-trien-3-yloxypiperidine
PubChem CID90980595
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-hepta-1,3,5-trien-3-yloxypiperidine
SMILESC=CC(=CC=CC)OC1CCNCC1
InChIInChI=1S/C12H19NO/c1-3-5-6-11(4-2)14-12-7-9-13-10-8-12/h3-6,12-13H,2,7-10H2,1H3
InChIKeyWAVSXMVJYWOOKO-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hepta-1,3,5-trien-3-yloxypiperidine?
The IUPAC name of 4-hepta-1,3,5-trien-3-yloxypiperidine (CID 90980595) is 4-hepta-1,3,5-trien-3-yloxypiperidine.
What is the SMILES notation for 4-hepta-1,3,5-trien-3-yloxypiperidine?
The canonical SMILES for 4-hepta-1,3,5-trien-3-yloxypiperidine is C=CC(=CC=CC)OC1CCNCC1.
What is the InChIKey of 4-hepta-1,3,5-trien-3-yloxypiperidine?
The InChIKey is WAVSXMVJYWOOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-5-6-11(4-2)14-12-7-9-13-10-8-12/h3-6,12-13H,2,7-10H2,1H3.
What are the key properties of 4-hepta-1,3,5-trien-3-yloxypiperidine?
4-hepta-1,3,5-trien-3-yloxypiperidine has a molecular weight of 193.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hepta-1,3,5-trien-3-yloxypiperidine is sourced from PubChem (CID 90980595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).