2-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide

C13H19N3O — CID 114017272

IUPAC2-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1N1CCCC(O)C1
InChIInChI=1S/C13H19N3O/c1-9-4-5-12(11(7-9)13(14)15)16-6-2-3-10(17)8-16/h4-5,7,10,17H,2-3,6,8H2,1H3,(H3,14,15)
InChIKeyXASYDCXPAILPPD-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.24
Rot. Bonds2

About 2-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide

2-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide (PubChem CID 114017272) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide
PubChem CID114017272
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1N1CCCC(O)C1
InChIInChI=1S/C13H19N3O/c1-9-4-5-12(11(7-9)13(14)15)16-6-2-3-10(17)8-16/h4-5,7,10,17H,2-3,6,8H2,1H3,(H3,14,15)
InChIKeyXASYDCXPAILPPD-UHFFFAOYSA-N
XLogP1.24
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide
CID 114017311
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylbenzenecarboximidamide
CID 107930498
5-methyl-2-piperidin-1-ylbenzenecarboximidamide
CID 107930307
2-(3,4-dihydroxypyrrolidin-1-yl)-5-methylbenzenecarboximidamide
CID 107930636
5-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 107930632
5-methyl-2-(2-methylmorpholin-4-yl)benzenecarboximidamide
CID 107930291
4-methyl-2-(3-propoxypiperidin-1-yl)benzenecarboximidamide
CID 62306922
5-methyl-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide
CID 107930407
2-(azepan-1-yl)-4-methylbenzenecarboximidamide
CID 55057394
2-(3-ethylpiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43584579
2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide
CID 63668655
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methylbenzenecarboximidamide
CID 113335752

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide (CID 114017272) is 2-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1N1CCCC(O)C1.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide?
The InChIKey is XASYDCXPAILPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-4-5-12(11(7-9)13(14)15)16-6-2-3-10(17)8-16/h4-5,7,10,17H,2-3,6,8H2,1H3,(H3,14,15).
What are the key properties of 2-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide?
2-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide has a molecular weight of 233.31 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide is sourced from PubChem (CID 114017272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).