4-hydroxy-3,5-dimethylpiperidine-1-carboximidamide

C8H17N3O — CID 170614400

IUPAC4-hydroxy-3,5-dimethylpiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC(C)C(O)C(C)C1
InChIInChI=1S/C8H17N3O/c1-5-3-11(8(9)10)4-6(2)7(5)12/h5-7,12H,3-4H2,1-2H3,(H3,9,10)
InChIKeyZCQXTRKEGQAYEE-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.17
Rot. Bonds

About 4-hydroxy-3,5-dimethylpiperidine-1-carboximidamide

4-hydroxy-3,5-dimethylpiperidine-1-carboximidamide (PubChem CID 170614400) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-hydroxy-3,5-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-hydroxy-3,5-dimethylpiperidine-1-carboximidamide
PubChem CID170614400
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name4-hydroxy-3,5-dimethylpiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC(C)C(O)C(C)C1
InChIInChI=1S/C8H17N3O/c1-5-3-11(8(9)10)4-6(2)7(5)12/h5-7,12H,3-4H2,1-2H3,(H3,9,10)
InChIKeyZCQXTRKEGQAYEE-UHFFFAOYSA-N
XLogP-0.17
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-dimethylpiperidine-1-carboximidamide?
The IUPAC name of 4-hydroxy-3,5-dimethylpiperidine-1-carboximidamide (CID 170614400) is 4-hydroxy-3,5-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-hydroxy-3,5-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for 4-hydroxy-3,5-dimethylpiperidine-1-carboximidamide is [H]/N=C(\N)N1CC(C)C(O)C(C)C1.
What is the InChIKey of 4-hydroxy-3,5-dimethylpiperidine-1-carboximidamide?
The InChIKey is ZCQXTRKEGQAYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-5-3-11(8(9)10)4-6(2)7(5)12/h5-7,12H,3-4H2,1-2H3,(H3,9,10).
What are the key properties of 4-hydroxy-3,5-dimethylpiperidine-1-carboximidamide?
4-hydroxy-3,5-dimethylpiperidine-1-carboximidamide has a molecular weight of 171.24 g/mol, XLogP of -0.17, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 170614400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).