N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide

C14H21N3O2 — CID 61406641

IUPACN'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
SMILESNC(=NO)c1ccccc1CN1CCCCC1CO
InChIInChI=1S/C14H21N3O2/c15-14(16-19)13-7-2-1-5-11(13)9-17-8-4-3-6-12(17)10-18/h1-2,5,7,12,18-19H,3-4,6,8-10H2,(H2,15,16)
InChIKeyOCHUYFBRAOOPIO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.13
Rot. Bonds4

About N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide

N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide (PubChem CID 61406641) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
PubChem CID61406641
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
SMILESNC(=NO)c1ccccc1CN1CCCCC1CO
InChIInChI=1S/C14H21N3O2/c15-14(16-19)13-7-2-1-5-11(13)9-17-8-4-3-6-12(17)10-18/h1-2,5,7,12,18-19H,3-4,6,8-10H2,(H2,15,16)
InChIKeyOCHUYFBRAOOPIO-UHFFFAOYSA-N
XLogP1.13
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.13
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-ethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 43266553
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76975855
[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
CID 796363
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 82749636
N'-hydroxy-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 102781413
N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 61406545
2-fluoro-3-[[2-(hydroxymethyl)azepan-1-yl]methyl]benzenecarbothioamide
CID 107115714
[1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 61407811
N'-hydroxy-3-[[2-(hydroxymethyl)azepan-1-yl]methyl]benzenecarboximidamide
CID 116634961
[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanol
CID 3116751
[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
CID 60968324
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 54980628

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide (CID 61406641) is N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide is NC(=NO)c1ccccc1CN1CCCCC1CO.
What is the InChIKey of N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
The InChIKey is OCHUYFBRAOOPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-14(16-19)13-7-2-1-5-11(13)9-17-8-4-3-6-12(17)10-18/h1-2,5,7,12,18-19H,3-4,6,8-10H2,(H2,15,16).
What are the key properties of N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide has a molecular weight of 263.34 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide is sourced from PubChem (CID 61406641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).