3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboximidamide

C11H17N5O — CID 62685054

IUPAC3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N1CCCC(CO)C1
InChIInChI=1S/C11H17N5O/c12-10(13)9-11(15-4-3-14-9)16-5-1-2-8(6-16)7-17/h3-4,8,17H,1-2,5-7H2,(H3,12,13)
InChIKeyAZUSAJLBJGKJQM-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.03
Rot. Bonds3

About 3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboximidamide

3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboximidamide (PubChem CID 62685054) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboximidamide
PubChem CID62685054
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N1CCCC(CO)C1
InChIInChI=1S/C11H17N5O/c12-10(13)9-11(15-4-3-14-9)16-5-1-2-8(6-16)7-17/h3-4,8,17H,1-2,5-7H2,(H3,12,13)
InChIKeyAZUSAJLBJGKJQM-UHFFFAOYSA-N
XLogP-0.03
TPSA99.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.03
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-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboximidamide?
The IUPAC name of 3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboximidamide (CID 62685054) is 3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboximidamide.
What is the SMILES notation for 3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboximidamide?
The canonical SMILES for 3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1N1CCCC(CO)C1.
What is the InChIKey of 3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboximidamide?
The InChIKey is AZUSAJLBJGKJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c12-10(13)9-11(15-4-3-14-9)16-5-1-2-8(6-16)7-17/h3-4,8,17H,1-2,5-7H2,(H3,12,13).
What are the key properties of 3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboximidamide?
3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboximidamide has a molecular weight of 235.29 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboximidamide is sourced from PubChem (CID 62685054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).