(1E,3Z)-1-piperidin-4-yloxypenta-1,3-diene-1,4-diamine

C10H19N3O — CID 134406331

IUPAC(1E,3Z)-1-piperidin-4-yloxypenta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)OC1CCNCC1
InChIInChI=1S/C10H19N3O/c1-8(11)2-3-10(12)14-9-4-6-13-7-5-9/h2-3,9,13H,4-7,11-12H2,1H3/b8-2-,10-3+
InChIKeyNYTBFZDOZMGYBO-AVBCCAMWSA-N
MW197.28 g/mol
LogP0.42
Rot. Bonds3

About (1E,3Z)-1-piperidin-4-yloxypenta-1,3-diene-1,4-diamine

(1E,3Z)-1-piperidin-4-yloxypenta-1,3-diene-1,4-diamine (PubChem CID 134406331) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (1E,3Z)-1-piperidin-4-yloxypenta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-piperidin-4-yloxypenta-1,3-diene-1,4-diamine
PubChem CID134406331
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(1E,3Z)-1-piperidin-4-yloxypenta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)OC1CCNCC1
InChIInChI=1S/C10H19N3O/c1-8(11)2-3-10(12)14-9-4-6-13-7-5-9/h2-3,9,13H,4-7,11-12H2,1H3/b8-2-,10-3+
InChIKeyNYTBFZDOZMGYBO-AVBCCAMWSA-N
XLogP0.42
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (1E,3Z)-1-piperidin-4-yloxypenta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-1-piperidin-4-yloxypenta-1,3-diene-1,4-diamine (CID 134406331) is (1E,3Z)-1-piperidin-4-yloxypenta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-1-piperidin-4-yloxypenta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-1-piperidin-4-yloxypenta-1,3-diene-1,4-diamine is C/C(N)=C/C=C(\N)OC1CCNCC1.
What is the InChIKey of (1E,3Z)-1-piperidin-4-yloxypenta-1,3-diene-1,4-diamine?
The InChIKey is NYTBFZDOZMGYBO-AVBCCAMWSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(11)2-3-10(12)14-9-4-6-13-7-5-9/h2-3,9,13H,4-7,11-12H2,1H3/b8-2-,10-3+.
What are the key properties of (1E,3Z)-1-piperidin-4-yloxypenta-1,3-diene-1,4-diamine?
(1E,3Z)-1-piperidin-4-yloxypenta-1,3-diene-1,4-diamine has a molecular weight of 197.28 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-piperidin-4-yloxypenta-1,3-diene-1,4-diamine is sourced from PubChem (CID 134406331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).