4-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]piperidine

C12H19NO — CID 142816337

IUPAC4-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]piperidine
SMILESC=C/C=C\C(=C)OCC1CCNCC1
InChIInChI=1S/C12H19NO/c1-3-4-5-11(2)14-10-12-6-8-13-9-7-12/h3-5,12-13H,1-2,6-10H2/b5-4-
InChIKeyYSADEHSEYAVWCE-PLNGDYQASA-N
MW193.29 g/mol
LogP2.26
Rot. Bonds5

About 4-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]piperidine

4-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]piperidine (PubChem CID 142816337) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]piperidine.

Molecular Properties

Compound Name4-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]piperidine
PubChem CID142816337
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]piperidine
SMILESC=C/C=C\C(=C)OCC1CCNCC1
InChIInChI=1S/C12H19NO/c1-3-4-5-11(2)14-10-12-6-8-13-9-7-12/h3-5,12-13H,1-2,6-10H2/b5-4-
InChIKeyYSADEHSEYAVWCE-PLNGDYQASA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.26
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-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]piperidine?
The IUPAC name of 4-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]piperidine (CID 142816337) is 4-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]piperidine.
What is the SMILES notation for 4-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]piperidine?
The canonical SMILES for 4-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]piperidine is C=C/C=C\C(=C)OCC1CCNCC1.
What is the InChIKey of 4-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]piperidine?
The InChIKey is YSADEHSEYAVWCE-PLNGDYQASA-N. The full InChI is InChI=1S/C12H19NO/c1-3-4-5-11(2)14-10-12-6-8-13-9-7-12/h3-5,12-13H,1-2,6-10H2/b5-4-.
What are the key properties of 4-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]piperidine?
4-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]piperidine has a molecular weight of 193.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]piperidine is sourced from PubChem (CID 142816337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).