1-(4-diazocyclohexa-1,5-dien-1-yl)piperidine

C11H15N3 — CID 154116078

IUPAC1-(4-diazocyclohexa-1,5-dien-1-yl)piperidine
SMILES[N-]=[N+]=C1C=CC(N2CCCCC2)=CC1
InChIInChI=1S/C11H15N3/c12-13-10-4-6-11(7-5-10)14-8-2-1-3-9-14/h4,6-7H,1-3,5,8-9H2
InChIKeyIROQTHLQEVFWRS-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.99
Rot. Bonds1

About 1-(4-diazocyclohexa-1,5-dien-1-yl)piperidine

1-(4-diazocyclohexa-1,5-dien-1-yl)piperidine (PubChem CID 154116078) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(4-diazocyclohexa-1,5-dien-1-yl)piperidine.

Molecular Properties

Compound Name1-(4-diazocyclohexa-1,5-dien-1-yl)piperidine
PubChem CID154116078
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-(4-diazocyclohexa-1,5-dien-1-yl)piperidine
SMILES[N-]=[N+]=C1C=CC(N2CCCCC2)=CC1
InChIInChI=1S/C11H15N3/c12-13-10-4-6-11(7-5-10)14-8-2-1-3-9-14/h4,6-7H,1-3,5,8-9H2
InChIKeyIROQTHLQEVFWRS-UHFFFAOYSA-N
XLogP1.99
TPSA39.64 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

p-Diazodiethylaniline
CID 19078851
1-[4-Diazo-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine
CID 159964499
6-diazo-N,N-dipropylcyclohexa-1,3-dien-1-amine
CID 17766223
4-diazo-N,N-dipropylcyclohexa-1,5-dien-1-amine
CID 19014007
4-diazo-N-methyl-N-prop-2-enylcyclohexa-1,5-dien-1-amine
CID 20340947
4-diazo-N,N-dipentylcyclohexa-1,5-dien-1-amine
CID 20574591
4-diazo-N-ethyl-N-methylcyclohexa-1,5-dien-1-amine
CID 21441183
6-diazo-N,N-diethylcyclohexa-1,3-dien-1-amine
CID 23126790
1-(4-Diazocyclohexa-1,5-dien-1-yl)pyrrolidine
CID 23339719
N-cyclohexyl-4-diazo-N-methylcyclohexa-1,5-dien-1-amine
CID 53776669
N,N-dibutyl-4-diazocyclohexa-1,5-dien-1-amine
CID 54337352
2,10-Diazatetracyclo[11.2.2.02,12.04,9]heptadeca-1(15),3,5,7,9,11,13-heptaene
CID 90718109

Frequently Asked Questions

What is the IUPAC name of 1-(4-diazocyclohexa-1,5-dien-1-yl)piperidine?
The IUPAC name of 1-(4-diazocyclohexa-1,5-dien-1-yl)piperidine (CID 154116078) is 1-(4-diazocyclohexa-1,5-dien-1-yl)piperidine.
What is the SMILES notation for 1-(4-diazocyclohexa-1,5-dien-1-yl)piperidine?
The canonical SMILES for 1-(4-diazocyclohexa-1,5-dien-1-yl)piperidine is [N-]=[N+]=C1C=CC(N2CCCCC2)=CC1.
What is the InChIKey of 1-(4-diazocyclohexa-1,5-dien-1-yl)piperidine?
The InChIKey is IROQTHLQEVFWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c12-13-10-4-6-11(7-5-10)14-8-2-1-3-9-14/h4,6-7H,1-3,5,8-9H2.
What are the key properties of 1-(4-diazocyclohexa-1,5-dien-1-yl)piperidine?
1-(4-diazocyclohexa-1,5-dien-1-yl)piperidine has a molecular weight of 189.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-diazocyclohexa-1,5-dien-1-yl)piperidine is sourced from PubChem (CID 154116078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).