[(1Z)-3-[(2R)-1-tert-butylpiperidin-2-yl]buta-1,3-dienyl]-methyldiazene

C14H25N3 — CID 155148351

IUPAC[(1Z)-3-[(2R)-1-tert-butylpiperidin-2-yl]buta-1,3-dienyl]-methyldiazene
SMILESC=C(/C=C\N=N\C)[C@H]1CCCCN1C(C)(C)C
InChIInChI=1S/C14H25N3/c1-12(9-10-16-15-5)13-8-6-7-11-17(13)14(2,3)4/h9-10,13H,1,6-8,11H2,2-5H3/b10-9-,16-15+/t13-/m1/s1
InChIKeyWPKAFCFUPMPQSE-KQAIEJJJSA-N
MW235.38 g/mol
LogP3.79
Rot. Bonds3

About [(1Z)-3-[(2R)-1-tert-butylpiperidin-2-yl]buta-1,3-dienyl]-methyldiazene

[(1Z)-3-[(2R)-1-tert-butylpiperidin-2-yl]buta-1,3-dienyl]-methyldiazene (PubChem CID 155148351) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is [(1Z)-3-[(2R)-1-tert-butylpiperidin-2-yl]buta-1,3-dienyl]-methyldiazene.

Molecular Properties

Compound Name[(1Z)-3-[(2R)-1-tert-butylpiperidin-2-yl]buta-1,3-dienyl]-methyldiazene
PubChem CID155148351
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name[(1Z)-3-[(2R)-1-tert-butylpiperidin-2-yl]buta-1,3-dienyl]-methyldiazene
SMILESC=C(/C=C\N=N\C)[C@H]1CCCCN1C(C)(C)C
InChIInChI=1S/C14H25N3/c1-12(9-10-16-15-5)13-8-6-7-11-17(13)14(2,3)4/h9-10,13H,1,6-8,11H2,2-5H3/b10-9-,16-15+/t13-/m1/s1
InChIKeyWPKAFCFUPMPQSE-KQAIEJJJSA-N
XLogP3.79
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(2-Methyl-6-methylideneocta-1,7-dien-3-yl)piperidine
CID 139514338
(E)-N,N-dimethyl-2-(1-methylpiperidin-2-yl)ethenamine
CID 141179911
1-Ethenyl-2-prop-1-en-2-ylpiperidine
CID 155031034

Frequently Asked Questions

What is the IUPAC name of [(1Z)-3-[(2R)-1-tert-butylpiperidin-2-yl]buta-1,3-dienyl]-methyldiazene?
The IUPAC name of [(1Z)-3-[(2R)-1-tert-butylpiperidin-2-yl]buta-1,3-dienyl]-methyldiazene (CID 155148351) is [(1Z)-3-[(2R)-1-tert-butylpiperidin-2-yl]buta-1,3-dienyl]-methyldiazene.
What is the SMILES notation for [(1Z)-3-[(2R)-1-tert-butylpiperidin-2-yl]buta-1,3-dienyl]-methyldiazene?
The canonical SMILES for [(1Z)-3-[(2R)-1-tert-butylpiperidin-2-yl]buta-1,3-dienyl]-methyldiazene is C=C(/C=C\N=N\C)[C@H]1CCCCN1C(C)(C)C.
What is the InChIKey of [(1Z)-3-[(2R)-1-tert-butylpiperidin-2-yl]buta-1,3-dienyl]-methyldiazene?
The InChIKey is WPKAFCFUPMPQSE-KQAIEJJJSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(9-10-16-15-5)13-8-6-7-11-17(13)14(2,3)4/h9-10,13H,1,6-8,11H2,2-5H3/b10-9-,16-15+/t13-/m1/s1.
What are the key properties of [(1Z)-3-[(2R)-1-tert-butylpiperidin-2-yl]buta-1,3-dienyl]-methyldiazene?
[(1Z)-3-[(2R)-1-tert-butylpiperidin-2-yl]buta-1,3-dienyl]-methyldiazene has a molecular weight of 235.38 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-3-[(2R)-1-tert-butylpiperidin-2-yl]buta-1,3-dienyl]-methyldiazene is sourced from PubChem (CID 155148351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).