5-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide

C12H18N4O — CID 113321263

IUPAC5-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(C)(O)CC2)cn1
InChIInChI=1S/C12H18N4O/c1-12(17)4-6-16(7-5-12)9-2-3-10(11(13)14)15-8-9/h2-3,8,17H,4-7H2,1H3,(H3,13,14)
InChIKeyKUOSHXDWCDEZFH-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.72
Rot. Bonds2

About 5-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide

5-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide (PubChem CID 113321263) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
PubChem CID113321263
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(C)(O)CC2)cn1
InChIInChI=1S/C12H18N4O/c1-12(17)4-6-16(7-5-12)9-2-3-10(11(13)14)15-8-9/h2-3,8,17H,4-7H2,1H3,(H3,13,14)
InChIKeyKUOSHXDWCDEZFH-UHFFFAOYSA-N
XLogP0.72
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(8-azaspiro[4.5]decan-8-yl)pyridine-2-carboximidamide
CID 115489654
5-morpholin-4-ylpyridine-2-carboximidamide
CID 115489462
5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboximidamide
CID 115489708
5-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide
CID 106836148
2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550631
4-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-2-carboximidamide
CID 103356330
5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboximidamide
CID 115489641
5-(2-ethylmorpholin-4-yl)pyridine-2-carboximidamide
CID 115489519
5-(2-methylimidazol-1-yl)pyridine-2-carboximidamide
CID 115489725
5-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136990631
1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol
CID 83132184
5-(2-ethylimidazol-1-yl)pyridine-2-carboximidamide
CID 115489732

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide?
The IUPAC name of 5-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide (CID 113321263) is 5-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide.
What is the SMILES notation for 5-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide?
The canonical SMILES for 5-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(N2CCC(C)(O)CC2)cn1.
What is the InChIKey of 5-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide?
The InChIKey is KUOSHXDWCDEZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-12(17)4-6-16(7-5-12)9-2-3-10(11(13)14)15-8-9/h2-3,8,17H,4-7H2,1H3,(H3,13,14).
What are the key properties of 5-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide?
5-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide has a molecular weight of 234.30 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 113321263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).