1-(azidomethyl)piperidin-4-ol

C6H12N4O — CID 118928147

IUPAC1-(azidomethyl)piperidin-4-ol
SMILES[N-]=[N+]=NCN1CCC(O)CC1
InChIInChI=1S/C6H12N4O/c7-9-8-5-10-3-1-6(11)2-4-10/h6,11H,1-5H2
InChIKeyIGIRSKTUEKMECT-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.71
Rot. Bonds2

About 1-(azidomethyl)piperidin-4-ol

1-(azidomethyl)piperidin-4-ol (PubChem CID 118928147) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-(azidomethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(azidomethyl)piperidin-4-ol
PubChem CID118928147
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name1-(azidomethyl)piperidin-4-ol
SMILES[N-]=[N+]=NCN1CCC(O)CC1
InChIInChI=1S/C6H12N4O/c7-9-8-5-10-3-1-6(11)2-4-10/h6,11H,1-5H2
InChIKeyIGIRSKTUEKMECT-UHFFFAOYSA-N
XLogP0.71
TPSA72.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(azidomethyl)piperidin-4-ol?
The IUPAC name of 1-(azidomethyl)piperidin-4-ol (CID 118928147) is 1-(azidomethyl)piperidin-4-ol.
What is the SMILES notation for 1-(azidomethyl)piperidin-4-ol?
The canonical SMILES for 1-(azidomethyl)piperidin-4-ol is [N-]=[N+]=NCN1CCC(O)CC1.
What is the InChIKey of 1-(azidomethyl)piperidin-4-ol?
The InChIKey is IGIRSKTUEKMECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c7-9-8-5-10-3-1-6(11)2-4-10/h6,11H,1-5H2.
What are the key properties of 1-(azidomethyl)piperidin-4-ol?
1-(azidomethyl)piperidin-4-ol has a molecular weight of 156.19 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azidomethyl)piperidin-4-ol is sourced from PubChem (CID 118928147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).