4-(piperidin-1-ylmethyl)benzoyl azide

C13H16N4O — CID 141453414

IUPAC4-(piperidin-1-ylmethyl)benzoyl azide
SMILES[N-]=[N+]=NC(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C13H16N4O/c14-16-15-13(18)12-6-4-11(5-7-12)10-17-8-2-1-3-9-17/h4-7H,1-3,8-10H2
InChIKeyDBQKIAQMUXSHTD-UHFFFAOYSA-N
MW244.30 g/mol
LogP3.12
Rot. Bonds3

About 4-(piperidin-1-ylmethyl)benzoyl azide

4-(piperidin-1-ylmethyl)benzoyl azide (PubChem CID 141453414) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-(piperidin-1-ylmethyl)benzoyl azide.

Molecular Properties

Compound Name4-(piperidin-1-ylmethyl)benzoyl azide
PubChem CID141453414
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-(piperidin-1-ylmethyl)benzoyl azide
SMILES[N-]=[N+]=NC(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C13H16N4O/c14-16-15-13(18)12-6-4-11(5-7-12)10-17-8-2-1-3-9-17/h4-7H,1-3,8-10H2
InChIKeyDBQKIAQMUXSHTD-UHFFFAOYSA-N
XLogP3.12
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 53.12
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylmethyl)benzoyl azide?
The IUPAC name of 4-(piperidin-1-ylmethyl)benzoyl azide (CID 141453414) is 4-(piperidin-1-ylmethyl)benzoyl azide.
What is the SMILES notation for 4-(piperidin-1-ylmethyl)benzoyl azide?
The canonical SMILES for 4-(piperidin-1-ylmethyl)benzoyl azide is [N-]=[N+]=NC(=O)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 4-(piperidin-1-ylmethyl)benzoyl azide?
The InChIKey is DBQKIAQMUXSHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-16-15-13(18)12-6-4-11(5-7-12)10-17-8-2-1-3-9-17/h4-7H,1-3,8-10H2.
What are the key properties of 4-(piperidin-1-ylmethyl)benzoyl azide?
4-(piperidin-1-ylmethyl)benzoyl azide has a molecular weight of 244.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylmethyl)benzoyl azide is sourced from PubChem (CID 141453414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).