1-[2-(azidomethyl)prop-2-enyl]piperidine

C9H16N4 — CID 18547043

IUPAC1-[2-(azidomethyl)prop-2-enyl]piperidine
SMILESC=C(CN=[N+]=[N-])CN1CCCCC1
InChIInChI=1S/C9H16N4/c1-9(7-11-12-10)8-13-5-3-2-4-6-13/h1-8H2
InChIKeyFIZLICQGAQJBSJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.34
Rot. Bonds4

About 1-[2-(azidomethyl)prop-2-enyl]piperidine

1-[2-(azidomethyl)prop-2-enyl]piperidine (PubChem CID 18547043) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-[2-(azidomethyl)prop-2-enyl]piperidine.

Molecular Properties

Compound Name1-[2-(azidomethyl)prop-2-enyl]piperidine
PubChem CID18547043
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-[2-(azidomethyl)prop-2-enyl]piperidine
SMILESC=C(CN=[N+]=[N-])CN1CCCCC1
InChIInChI=1S/C9H16N4/c1-9(7-11-12-10)8-13-5-3-2-4-6-13/h1-8H2
InChIKeyFIZLICQGAQJBSJ-UHFFFAOYSA-N
XLogP2.34
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-[2-(azidomethyl)prop-2-enyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azidomethyl)prop-2-enyl]piperidine?
The IUPAC name of 1-[2-(azidomethyl)prop-2-enyl]piperidine (CID 18547043) is 1-[2-(azidomethyl)prop-2-enyl]piperidine.
What is the SMILES notation for 1-[2-(azidomethyl)prop-2-enyl]piperidine?
The canonical SMILES for 1-[2-(azidomethyl)prop-2-enyl]piperidine is C=C(CN=[N+]=[N-])CN1CCCCC1.
What is the InChIKey of 1-[2-(azidomethyl)prop-2-enyl]piperidine?
The InChIKey is FIZLICQGAQJBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-9(7-11-12-10)8-13-5-3-2-4-6-13/h1-8H2.
What are the key properties of 1-[2-(azidomethyl)prop-2-enyl]piperidine?
1-[2-(azidomethyl)prop-2-enyl]piperidine has a molecular weight of 180.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azidomethyl)prop-2-enyl]piperidine is sourced from PubChem (CID 18547043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).