(1Z,3E)-3-piperidin-4-yloxyhexa-1,3,5-trien-1-amine

C11H18N2O — CID 89034933

IUPAC(1Z,3E)-3-piperidin-4-yloxyhexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/N)OC1CCNCC1
InChIInChI=1S/C11H18N2O/c1-2-3-10(4-7-12)14-11-5-8-13-9-6-11/h2-4,7,11,13H,1,5-6,8-9,12H2/b7-4-,10-3+
InChIKeyFUMNFGCOIHTOOG-PZPRPFQRSA-N
MW194.28 g/mol
LogP1.30
Rot. Bonds4

About (1Z,3E)-3-piperidin-4-yloxyhexa-1,3,5-trien-1-amine

(1Z,3E)-3-piperidin-4-yloxyhexa-1,3,5-trien-1-amine (PubChem CID 89034933) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (1Z,3E)-3-piperidin-4-yloxyhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-3-piperidin-4-yloxyhexa-1,3,5-trien-1-amine
PubChem CID89034933
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(1Z,3E)-3-piperidin-4-yloxyhexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/N)OC1CCNCC1
InChIInChI=1S/C11H18N2O/c1-2-3-10(4-7-12)14-11-5-8-13-9-6-11/h2-4,7,11,13H,1,5-6,8-9,12H2/b7-4-,10-3+
InChIKeyFUMNFGCOIHTOOG-PZPRPFQRSA-N
XLogP1.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (1Z,3E)-3-piperidin-4-yloxyhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E)-3-piperidin-4-yloxyhexa-1,3,5-trien-1-amine (CID 89034933) is (1Z,3E)-3-piperidin-4-yloxyhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E)-3-piperidin-4-yloxyhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E)-3-piperidin-4-yloxyhexa-1,3,5-trien-1-amine is C=C/C=C(\C=C/N)OC1CCNCC1.
What is the InChIKey of (1Z,3E)-3-piperidin-4-yloxyhexa-1,3,5-trien-1-amine?
The InChIKey is FUMNFGCOIHTOOG-PZPRPFQRSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-3-10(4-7-12)14-11-5-8-13-9-6-11/h2-4,7,11,13H,1,5-6,8-9,12H2/b7-4-,10-3+.
What are the key properties of (1Z,3E)-3-piperidin-4-yloxyhexa-1,3,5-trien-1-amine?
(1Z,3E)-3-piperidin-4-yloxyhexa-1,3,5-trien-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-piperidin-4-yloxyhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89034933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).