(4-methoxyphenyl)-piperidin-1-yldiazene

C12H17N3O — CID 12535070

IUPAC(4-methoxyphenyl)-piperidin-1-yldiazene
SMILESCOc1ccc(/N=N/N2CCCCC2)cc1
InChIInChI=1S/C12H17N3O/c1-16-12-7-5-11(6-8-12)13-14-15-9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3/b14-13+
InChIKeyUFUDGTFMOATCLV-BUHFOSPRSA-N
MW219.29 g/mol
LogP3.18
Rot. Bonds3

About (4-methoxyphenyl)-piperidin-1-yldiazene

(4-methoxyphenyl)-piperidin-1-yldiazene (PubChem CID 12535070) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (4-methoxyphenyl)-piperidin-1-yldiazene.

Molecular Properties

Compound Name(4-methoxyphenyl)-piperidin-1-yldiazene
PubChem CID12535070
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(4-methoxyphenyl)-piperidin-1-yldiazene
SMILESCOc1ccc(/N=N/N2CCCCC2)cc1
InChIInChI=1S/C12H17N3O/c1-16-12-7-5-11(6-8-12)13-14-15-9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3/b14-13+
InChIKeyUFUDGTFMOATCLV-BUHFOSPRSA-N
XLogP3.18
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 53.18
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'}

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Related Compounds

(4-methoxyphenyl)-methyldiazene
CID 20589170
4-(piperidin-1-yldiazenyl)benzoic acid
CID 799929
ethyl 4-(pyrrolidin-1-yldiazenyl)benzoate
CID 139203232
1-(4-methoxyphenyl)piperidine
CID 10130315
N-hydroxy-4-(pyrrolidin-1-yldiazenyl)benzeneamine oxide
CID 21143703
1-[4-(4-methoxyphenyl)buta-1,3-diynyl]piperidine
CID 15716418
N-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine
CID 171055873
(4-methoxyphenyl)-[(E)-(1-methylpyrrolidin-2-ylidene)methyl]diazene
CID 44579194
1-(4-methoxyphenyl)-N-methyl-1-piperidin-1-ylmethanimine
CID 3049237
ethane;ethene;1-(4-methoxyphenyl)piperidine
CID 144518047
1-(4-methoxyphenyl)iminothiane
CID 642019
(2,5-dioxopyrrolidin-1-yl) 4-(pyrrolidin-1-yldiazenyl)benzoate
CID 10805345

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-piperidin-1-yldiazene?
The IUPAC name of (4-methoxyphenyl)-piperidin-1-yldiazene (CID 12535070) is (4-methoxyphenyl)-piperidin-1-yldiazene.
What is the SMILES notation for (4-methoxyphenyl)-piperidin-1-yldiazene?
The canonical SMILES for (4-methoxyphenyl)-piperidin-1-yldiazene is COc1ccc(/N=N/N2CCCCC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-piperidin-1-yldiazene?
The InChIKey is UFUDGTFMOATCLV-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H17N3O/c1-16-12-7-5-11(6-8-12)13-14-15-9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3/b14-13+.
What are the key properties of (4-methoxyphenyl)-piperidin-1-yldiazene?
(4-methoxyphenyl)-piperidin-1-yldiazene has a molecular weight of 219.29 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-piperidin-1-yldiazene is sourced from PubChem (CID 12535070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).