3-(3-hydroxypiperidin-1-yl)pyrazine-2-carboximidamide

C10H15N5O — CID 62684215

IUPAC3-(3-hydroxypiperidin-1-yl)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N1CCCC(O)C1
InChIInChI=1S/C10H15N5O/c11-9(12)8-10(14-4-3-13-8)15-5-1-2-7(16)6-15/h3-4,7,16H,1-2,5-6H2,(H3,11,12)
InChIKeyCIOGIFWMJNSAHT-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.28
Rot. Bonds2

About 3-(3-hydroxypiperidin-1-yl)pyrazine-2-carboximidamide

3-(3-hydroxypiperidin-1-yl)pyrazine-2-carboximidamide (PubChem CID 62684215) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(3-hydroxypiperidin-1-yl)pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-(3-hydroxypiperidin-1-yl)pyrazine-2-carboximidamide
PubChem CID62684215
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name3-(3-hydroxypiperidin-1-yl)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N1CCCC(O)C1
InChIInChI=1S/C10H15N5O/c11-9(12)8-10(14-4-3-13-8)15-5-1-2-7(16)6-15/h3-4,7,16H,1-2,5-6H2,(H3,11,12)
InChIKeyCIOGIFWMJNSAHT-UHFFFAOYSA-N
XLogP-0.28
TPSA99.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 3-(3-hydroxypiperidin-1-yl)pyrazine-2-carboximidamide?
The IUPAC name of 3-(3-hydroxypiperidin-1-yl)pyrazine-2-carboximidamide (CID 62684215) is 3-(3-hydroxypiperidin-1-yl)pyrazine-2-carboximidamide.
What is the SMILES notation for 3-(3-hydroxypiperidin-1-yl)pyrazine-2-carboximidamide?
The canonical SMILES for 3-(3-hydroxypiperidin-1-yl)pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1N1CCCC(O)C1.
What is the InChIKey of 3-(3-hydroxypiperidin-1-yl)pyrazine-2-carboximidamide?
The InChIKey is CIOGIFWMJNSAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c11-9(12)8-10(14-4-3-13-8)15-5-1-2-7(16)6-15/h3-4,7,16H,1-2,5-6H2,(H3,11,12).
What are the key properties of 3-(3-hydroxypiperidin-1-yl)pyrazine-2-carboximidamide?
3-(3-hydroxypiperidin-1-yl)pyrazine-2-carboximidamide has a molecular weight of 221.26 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypiperidin-1-yl)pyrazine-2-carboximidamide is sourced from PubChem (CID 62684215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).