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

C14H21N3O2 — CID 43199962

IUPACN'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
SMILESN/C(=N\O)c1ccccc1N1CCCCC1CCO
InChIInChI=1S/C14H21N3O2/c15-14(16-19)12-6-1-2-7-13(12)17-9-4-3-5-11(17)8-10-18/h1-2,6-7,11,18-19H,3-5,8-10H2,(H2,15,16)
InChIKeySPKRJKDSHUWKEQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.52
Rot. Bonds4

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

N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide (PubChem CID 43199962) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
PubChem CID43199962
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
SMILESN/C(=N\O)c1ccccc1N1CCCCC1CCO
InChIInChI=1S/C14H21N3O2/c15-14(16-19)12-6-1-2-7-13(12)17-9-4-3-5-11(17)8-10-18/h1-2,6-7,11,18-19H,3-5,8-10H2,(H2,15,16)
InChIKeySPKRJKDSHUWKEQ-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
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-(2-hydroxyethyl)piperidin-1-yl]benzoic acid
CID 62230001
2-chloro-N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 76945268
2-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76928015
N'-hydroxy-2-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 107227549
2-chloro-6-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarbothioamide
CID 55079597
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 55075927
N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboximidamide
CID 24696730
2-bromo-6-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarbothioamide
CID 114881895
5-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarbothioamide
CID 62493326
2-[1-(2-ethylphenyl)pyrrolidin-2-yl]ethanol
CID 117028523
2-chloro-N'-hydroxy-6-[2-(hydroxymethyl)azepan-1-yl]benzenecarboximidamide
CID 116634940
N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-4-carboximidamide
CID 136906366

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide (CID 43199962) is N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide is N/C(=N\O)c1ccccc1N1CCCCC1CCO.
What is the InChIKey of N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide?
The InChIKey is SPKRJKDSHUWKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-14(16-19)12-6-1-2-7-13(12)17-9-4-3-5-11(17)8-10-18/h1-2,6-7,11,18-19H,3-5,8-10H2,(H2,15,16).
What are the key properties of N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide?
N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide has a molecular weight of 263.34 g/mol, XLogP of 1.52, 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-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 43199962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).