1-(3-azidopropyl)piperidin-4-ol

C8H16N4O — CID 61396762

IUPAC1-(3-azidopropyl)piperidin-4-ol
SMILES[N-]=[N+]=NCCCN1CCC(O)CC1
InChIInChI=1S/C8H16N4O/c9-11-10-4-1-5-12-6-2-8(13)3-7-12/h8,13H,1-7H2
InChIKeyLYOWVOLWOCFFQK-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.14
Rot. Bonds4

About 1-(3-azidopropyl)piperidin-4-ol

1-(3-azidopropyl)piperidin-4-ol (PubChem CID 61396762) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(3-azidopropyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(3-azidopropyl)piperidin-4-ol
PubChem CID61396762
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name1-(3-azidopropyl)piperidin-4-ol
SMILES[N-]=[N+]=NCCCN1CCC(O)CC1
InChIInChI=1S/C8H16N4O/c9-11-10-4-1-5-12-6-2-8(13)3-7-12/h8,13H,1-7H2
InChIKeyLYOWVOLWOCFFQK-UHFFFAOYSA-N
XLogP1.14
TPSA72.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(3-azidopropyl)piperidin-4-ol?
The IUPAC name of 1-(3-azidopropyl)piperidin-4-ol (CID 61396762) is 1-(3-azidopropyl)piperidin-4-ol.
What is the SMILES notation for 1-(3-azidopropyl)piperidin-4-ol?
The canonical SMILES for 1-(3-azidopropyl)piperidin-4-ol is [N-]=[N+]=NCCCN1CCC(O)CC1.
What is the InChIKey of 1-(3-azidopropyl)piperidin-4-ol?
The InChIKey is LYOWVOLWOCFFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c9-11-10-4-1-5-12-6-2-8(13)3-7-12/h8,13H,1-7H2.
What are the key properties of 1-(3-azidopropyl)piperidin-4-ol?
1-(3-azidopropyl)piperidin-4-ol has a molecular weight of 184.24 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidopropyl)piperidin-4-ol is sourced from PubChem (CID 61396762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).