N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide

C14H21N3O2 — CID 61406545

IUPACN'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
SMILESNC(=NO)c1ccc(CN2CCCCC2CO)cc1
InChIInChI=1S/C14H21N3O2/c15-14(16-19)12-6-4-11(5-7-12)9-17-8-2-1-3-13(17)10-18/h4-7,13,18-19H,1-3,8-10H2,(H2,15,16)
InChIKeyVDSRXDFGNOCYGO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.13
Rot. Bonds4

About N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide

N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide (PubChem CID 61406545) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
PubChem CID61406545
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
SMILESNC(=NO)c1ccc(CN2CCCCC2CO)cc1
InChIInChI=1S/C14H21N3O2/c15-14(16-19)12-6-4-11(5-7-12)9-17-8-2-1-3-13(17)10-18/h4-7,13,18-19H,1-3,8-10H2,(H2,15,16)
InChIKeyVDSRXDFGNOCYGO-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

N'-hydroxy-3-[[2-(hydroxymethyl)azepan-1-yl]methyl]benzenecarboximidamide
CID 116634961
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76975847
4-[[(2R)-2-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86319149
N'-hydroxy-4-[[2-(hydroxymethyl)azepan-1-yl]methyl]pyridine-2-carboximidamide
CID 136941768
N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 61406641
4-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24701931
[1-(pyridin-4-ylmethyl)azepan-2-yl]methanol
CID 116637584
2-amino-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenol
CID 61406900
[1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]azepan-2-yl]methanol
CID 116637178
3-[[2-(hydroxymethyl)azepan-1-yl]methyl]benzenecarbothioamide
CID 116634853
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 79918391
4-[(3-ethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 43613257

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide (CID 61406545) is N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide is NC(=NO)c1ccc(CN2CCCCC2CO)cc1.
What is the InChIKey of N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
The InChIKey is VDSRXDFGNOCYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-14(16-19)12-6-4-11(5-7-12)9-17-8-2-1-3-13(17)10-18/h4-7,13,18-19H,1-3,8-10H2,(H2,15,16).
What are the key properties of N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
N'-hydroxy-4-[[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-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide is sourced from PubChem (CID 61406545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).