2-chloro-N'-hydroxy-6-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide

C13H18ClN3O2 — CID 76945282

IUPAC2-chloro-N'-hydroxy-6-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide
SMILESNC(=NO)c1c(Cl)cccc1N1CCC(CO)CC1
InChIInChI=1S/C13H18ClN3O2/c14-10-2-1-3-11(12(10)13(15)16-19)17-6-4-9(8-18)5-7-17/h1-3,9,18-19H,4-8H2,(H2,15,16)
InChIKeyZIAABFBUGTWJQM-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.64
Rot. Bonds3

About 2-chloro-N'-hydroxy-6-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide

2-chloro-N'-hydroxy-6-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide (PubChem CID 76945282) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-6-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-6-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide
PubChem CID76945282
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-chloro-N'-hydroxy-6-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide
SMILESNC(=NO)c1c(Cl)cccc1N1CCC(CO)CC1
InChIInChI=1S/C13H18ClN3O2/c14-10-2-1-3-11(12(10)13(15)16-19)17-6-4-9(8-18)5-7-17/h1-3,9,18-19H,4-8H2,(H2,15,16)
InChIKeyZIAABFBUGTWJQM-UHFFFAOYSA-N
XLogP1.64
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.64
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-chloro-N'-hydroxy-6-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 76945092
2-chloro-N'-hydroxy-6-(4-methylazepan-1-yl)benzenecarboximidamide
CID 77002018
2-chloro-N'-hydroxy-6-thiomorpholin-4-ylbenzenecarboximidamide
CID 76945411
2-chloro-N'-hydroxy-6-(4-methylpiperazin-1-yl)benzenecarboximidamide
CID 76945351
2-chloro-6-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76945319
2-chloro-N'-hydroxy-6-[2-(hydroxymethyl)azepan-1-yl]benzenecarboximidamide
CID 116634940
2-chloro-6-(1,3-dihydroisoindol-2-yl)-N'-hydroxybenzenecarboximidamide
CID 76945118
2-chloro-N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 76945268
2-chloro-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide
CID 104690008
2-chloro-N'-hydroxy-6-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide
CID 77000772
2-[4-(hydroxymethyl)piperidin-1-yl]phenol
CID 71530927
2-bromo-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 114883165

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-6-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-6-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide (CID 76945282) is 2-chloro-N'-hydroxy-6-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-6-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-6-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide is NC(=NO)c1c(Cl)cccc1N1CCC(CO)CC1.
What is the InChIKey of 2-chloro-N'-hydroxy-6-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide?
The InChIKey is ZIAABFBUGTWJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c14-10-2-1-3-11(12(10)13(15)16-19)17-6-4-9(8-18)5-7-17/h1-3,9,18-19H,4-8H2,(H2,15,16).
What are the key properties of 2-chloro-N'-hydroxy-6-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide?
2-chloro-N'-hydroxy-6-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide has a molecular weight of 283.76 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-6-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 76945282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).