1-hydroxybenzotriazole;bis(piperidine)

C16H27N5O — CID 66619051

IUPAC1-hydroxybenzotriazole;bis(piperidine)
SMILESC1CCNCC1.C1CCNCC1.On1nnc2ccccc21
InChIInChI=1S/C6H5N3O.2C5H11N/c10-9-6-4-2-1-3-5(6)7-8-9;2*1-2-4-6-5-3-1/h1-4,10H;2*6H,1-5H2
InChIKeyVIAUXFYJOFICQB-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.19
Rot. Bonds

About 1-hydroxybenzotriazole;bis(piperidine)

1-hydroxybenzotriazole;bis(piperidine) (PubChem CID 66619051) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-hydroxybenzotriazole;bis(piperidine).

Molecular Properties

Compound Name1-hydroxybenzotriazole;bis(piperidine)
PubChem CID66619051
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name1-hydroxybenzotriazole;bis(piperidine)
SMILESC1CCNCC1.C1CCNCC1.On1nnc2ccccc21
InChIInChI=1S/C6H5N3O.2C5H11N/c10-9-6-4-2-1-3-5(6)7-8-9;2*1-2-4-6-5-3-1/h1-4,10H;2*6H,1-5H2
InChIKeyVIAUXFYJOFICQB-UHFFFAOYSA-N
XLogP2.19
TPSA75.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxybenzotriazole;bis(piperidine)?
The IUPAC name of 1-hydroxybenzotriazole;bis(piperidine) (CID 66619051) is 1-hydroxybenzotriazole;bis(piperidine).
What is the SMILES notation for 1-hydroxybenzotriazole;bis(piperidine)?
The canonical SMILES for 1-hydroxybenzotriazole;bis(piperidine) is C1CCNCC1.C1CCNCC1.On1nnc2ccccc21.
What is the InChIKey of 1-hydroxybenzotriazole;bis(piperidine)?
The InChIKey is VIAUXFYJOFICQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O.2C5H11N/c10-9-6-4-2-1-3-5(6)7-8-9;2*1-2-4-6-5-3-1/h1-4,10H;2*6H,1-5H2.
What are the key properties of 1-hydroxybenzotriazole;bis(piperidine)?
1-hydroxybenzotriazole;bis(piperidine) has a molecular weight of 305.43 g/mol, XLogP of 2.19, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxybenzotriazole;bis(piperidine) is sourced from PubChem (CID 66619051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).