4-(azidomethylidene)piperidine

C6H10N4 — CID 150039255

IUPAC4-(azidomethylidene)piperidine
SMILES[N-]=[N+]=NC=C1CCNCC1
InChIInChI=1S/C6H10N4/c7-10-9-5-6-1-3-8-4-2-6/h5,8H,1-4H2
InChIKeyDIXVXKFDJZYAFH-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.56
Rot. Bonds1

About 4-(azidomethylidene)piperidine

4-(azidomethylidene)piperidine (PubChem CID 150039255) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-(azidomethylidene)piperidine.

Molecular Properties

Compound Name4-(azidomethylidene)piperidine
PubChem CID150039255
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name4-(azidomethylidene)piperidine
SMILES[N-]=[N+]=NC=C1CCNCC1
InChIInChI=1S/C6H10N4/c7-10-9-5-6-1-3-8-4-2-6/h5,8H,1-4H2
InChIKeyDIXVXKFDJZYAFH-UHFFFAOYSA-N
XLogP1.56
TPSA60.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(azidomethylidene)piperidine?
The IUPAC name of 4-(azidomethylidene)piperidine (CID 150039255) is 4-(azidomethylidene)piperidine.
What is the SMILES notation for 4-(azidomethylidene)piperidine?
The canonical SMILES for 4-(azidomethylidene)piperidine is [N-]=[N+]=NC=C1CCNCC1.
What is the InChIKey of 4-(azidomethylidene)piperidine?
The InChIKey is DIXVXKFDJZYAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c7-10-9-5-6-1-3-8-4-2-6/h5,8H,1-4H2.
What are the key properties of 4-(azidomethylidene)piperidine?
4-(azidomethylidene)piperidine has a molecular weight of 138.17 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethylidene)piperidine is sourced from PubChem (CID 150039255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).