6-[2-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide

C12H18N4O — CID 61406687

IUPAC6-[2-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCCC2CO)nc1
InChIInChI=1S/C12H18N4O/c13-12(14)9-4-5-11(15-7-9)16-6-2-1-3-10(16)8-17/h4-5,7,10,17H,1-3,6,8H2,(H3,13,14)
InChIKeyAFZZVVMPJGPKGX-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.72
Rot. Bonds3

About 6-[2-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide

6-[2-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide (PubChem CID 61406687) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide
PubChem CID61406687
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name6-[2-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCCC2CO)nc1
InChIInChI=1S/C12H18N4O/c13-12(14)9-4-5-11(15-7-9)16-6-2-1-3-10(16)8-17/h4-5,7,10,17H,1-3,6,8H2,(H3,13,14)
InChIKeyAFZZVVMPJGPKGX-UHFFFAOYSA-N
XLogP0.72
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
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

6-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 116637062
4-[2-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboximidamide
CID 62924925
N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboximidamide
CID 24696730
[1-(5-tert-butyl-2-pyridinyl)piperidin-2-yl]methanol
CID 107875282
[1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 61409466
[1-(5-iodo-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 68796392
6-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 24689535
3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid
CID 62217146
6-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboximidamide
CID 62937761
[(2S)-1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 139294140
2-bromo-6-[2-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 114883654
[1-[6-(hydroxymethyl)pyridazin-3-yl]piperidin-2-yl]methanol
CID 61407734

Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide?
The IUPAC name of 6-[2-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide (CID 61406687) is 6-[2-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide.
What is the SMILES notation for 6-[2-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide?
The canonical SMILES for 6-[2-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(N2CCCCC2CO)nc1.
What is the InChIKey of 6-[2-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide?
The InChIKey is AFZZVVMPJGPKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-12(14)9-4-5-11(15-7-9)16-6-2-1-3-10(16)8-17/h4-5,7,10,17H,1-3,6,8H2,(H3,13,14).
What are the key properties of 6-[2-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide?
6-[2-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide has a molecular weight of 234.30 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide is sourced from PubChem (CID 61406687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).