(1-diazenylpiperidin-4-yl)methanol

C6H13N3O — CID 123242712

IUPAC(1-diazenylpiperidin-4-yl)methanol
SMILES[H]/N=N/N1CCC(CO)CC1
InChIInChI=1S/C6H13N3O/c7-8-9-3-1-6(5-10)2-4-9/h6-7,10H,1-5H2/b8-7+
InChIKeyGGKJSLBNGPCTIQ-BQYQJAHWSA-N
MW143.19 g/mol
LogP0.64
Rot. Bonds2

About (1-diazenylpiperidin-4-yl)methanol

(1-diazenylpiperidin-4-yl)methanol (PubChem CID 123242712) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is (1-diazenylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name(1-diazenylpiperidin-4-yl)methanol
PubChem CID123242712
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name(1-diazenylpiperidin-4-yl)methanol
SMILES[H]/N=N/N1CCC(CO)CC1
InChIInChI=1S/C6H13N3O/c7-8-9-3-1-6(5-10)2-4-9/h6-7,10H,1-5H2/b8-7+
InChIKeyGGKJSLBNGPCTIQ-BQYQJAHWSA-N
XLogP0.64
TPSA59.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-diazenylpiperidin-4-yl)methanol?
The IUPAC name of (1-diazenylpiperidin-4-yl)methanol (CID 123242712) is (1-diazenylpiperidin-4-yl)methanol.
What is the SMILES notation for (1-diazenylpiperidin-4-yl)methanol?
The canonical SMILES for (1-diazenylpiperidin-4-yl)methanol is [H]/N=N/N1CCC(CO)CC1.
What is the InChIKey of (1-diazenylpiperidin-4-yl)methanol?
The InChIKey is GGKJSLBNGPCTIQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C6H13N3O/c7-8-9-3-1-6(5-10)2-4-9/h6-7,10H,1-5H2/b8-7+.
What are the key properties of (1-diazenylpiperidin-4-yl)methanol?
(1-diazenylpiperidin-4-yl)methanol has a molecular weight of 143.19 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-diazenylpiperidin-4-yl)methanol is sourced from PubChem (CID 123242712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).