N'-hydroxy-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzenecarboximidamide

C15H23N3O2 — CID 81278035

IUPACN'-hydroxy-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzenecarboximidamide
SMILESCOCC1CCN(c2ccc(/C(N)=N/O)c(C)c2)CC1
InChIInChI=1S/C15H23N3O2/c1-11-9-13(3-4-14(11)15(16)17-19)18-7-5-12(6-8-18)10-20-2/h3-4,9,12,19H,5-8,10H2,1-2H3,(H2,16,17)
InChIKeyWXORFNNWFGSHFM-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.95
Rot. Bonds4

About N'-hydroxy-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzenecarboximidamide

N'-hydroxy-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzenecarboximidamide (PubChem CID 81278035) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-hydroxy-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzenecarboximidamide
PubChem CID81278035
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN'-hydroxy-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzenecarboximidamide
SMILESCOCC1CCN(c2ccc(/C(N)=N/O)c(C)c2)CC1
InChIInChI=1S/C15H23N3O2/c1-11-9-13(3-4-14(11)15(16)17-19)18-7-5-12(6-8-18)10-20-2/h3-4,9,12,19H,5-8,10H2,1-2H3,(H2,16,17)
InChIKeyWXORFNNWFGSHFM-UHFFFAOYSA-N
XLogP1.95
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
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-2-methyl-4-(4-propan-2-ylazepan-1-yl)benzenecarboximidamide
CID 81273838
4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzonitrile
CID 81282003
N'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2-methylbenzenecarboximidamide
CID 81278183
4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277739
N'-hydroxy-2-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzenecarboximidamide
CID 81273727
3-chloro-N'-hydroxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 77048364
N'-hydroxy-2-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 81277575
3-[4-[4-(methoxymethyl)piperidin-1-yl]-2-methylphenyl]prop-2-enoic acid
CID 76997447
5-fluoro-N'-hydroxy-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 76997460
2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide
CID 107278749
4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide
CID 81279437
4-[4-(hydroxymethyl)piperidin-1-yl]-2-methylbenzoic acid
CID 113400000

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzenecarboximidamide (CID 81278035) is N'-hydroxy-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzenecarboximidamide is COCC1CCN(c2ccc(/C(N)=N/O)c(C)c2)CC1.
What is the InChIKey of N'-hydroxy-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzenecarboximidamide?
The InChIKey is WXORFNNWFGSHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-9-13(3-4-14(11)15(16)17-19)18-7-5-12(6-8-18)10-20-2/h3-4,9,12,19H,5-8,10H2,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzenecarboximidamide?
N'-hydroxy-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzenecarboximidamide has a molecular weight of 277.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzenecarboximidamide is sourced from PubChem (CID 81278035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).