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

C14H21N3O3 — CID 82696609

IUPACN'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide
SMILESN/C(=N/O)c1ccccc1N1CCC(OCCO)CC1
InChIInChI=1S/C14H21N3O3/c15-14(16-19)12-3-1-2-4-13(12)17-7-5-11(6-8-17)20-10-9-18/h1-4,11,18-19H,5-10H2,(H2,15,16)
InChIKeyQVBWZWFCUFBYSW-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.76
Rot. Bonds5

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

N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide (PubChem CID 82696609) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide
PubChem CID82696609
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide
SMILESN/C(=N/O)c1ccccc1N1CCC(OCCO)CC1
InChIInChI=1S/C14H21N3O3/c15-14(16-19)12-3-1-2-4-13(12)17-7-5-11(6-8-17)20-10-9-18/h1-4,11,18-19H,5-10H2,(H2,15,16)
InChIKeyQVBWZWFCUFBYSW-UHFFFAOYSA-N
XLogP0.76
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide
CID 82015571
2-[1-(2-amino-3-fluorophenyl)piperidin-4-yl]oxyethanol
CID 82695538
N'-hydroxy-2-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 107227549
5-bromo-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarbothioamide
CID 114891992
N'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 43590319
2-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methylbenzenecarbothioamide
CID 107929191
N'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide
CID 102958200
1-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]phenyl]propan-1-ol
CID 115996046
N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-methylpyridine-3-carboximidamide
CID 82015567
2-(4-ethoxypiperidin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004290
N'-hydroxy-2-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 43199964
N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 43199962

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide (CID 82696609) is N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide is N/C(=N/O)c1ccccc1N1CCC(OCCO)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide?
The InChIKey is QVBWZWFCUFBYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c15-14(16-19)12-3-1-2-4-13(12)17-7-5-11(6-8-17)20-10-9-18/h1-4,11,18-19H,5-10H2,(H2,15,16).
What are the key properties of N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide?
N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide has a molecular weight of 279.34 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 82696609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).