N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide

C15H23N3O2 — CID 106587061

IUPACN'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
SMILESCOCC1CCCN(Cc2ccccc2/C(N)=N/O)C1
InChIInChI=1S/C15H23N3O2/c1-20-11-12-5-4-8-18(9-12)10-13-6-2-3-7-14(13)15(16)17-19/h2-3,6-7,12,19H,4-5,8-11H2,1H3,(H2,16,17)
InChIKeyCGRABYYWWRKAJQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.64
Rot. Bonds5

About N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide

N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide (PubChem CID 106587061) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
PubChem CID106587061
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
SMILESCOCC1CCCN(Cc2ccccc2/C(N)=N/O)C1
InChIInChI=1S/C15H23N3O2/c1-20-11-12-5-4-8-18(9-12)10-13-6-2-3-7-14(13)15(16)17-19/h2-3,6-7,12,19H,4-5,8-11H2,1H3,(H2,16,17)
InChIKeyCGRABYYWWRKAJQ-UHFFFAOYSA-N
XLogP1.64
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.64
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

2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 55158359
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 64599345
2-fluoro-N'-hydroxy-3-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 107117521
3-[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine
CID 106588436
N'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide
CID 106587060
N'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide
CID 121201414
methyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate
CID 82969171
2-[(4-tert-butylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 76934516
methyl 2-amino-6-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoate
CID 106585977
4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3-methylbenzenecarbothioamide
CID 106586961
5-fluoro-N'-hydroxy-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 76997460
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]aniline
CID 64570821

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide (CID 106587061) is N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide is COCC1CCCN(Cc2ccccc2/C(N)=N/O)C1.
What is the InChIKey of N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
The InChIKey is CGRABYYWWRKAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-11-12-5-4-8-18(9-12)10-13-6-2-3-7-14(13)15(16)17-19/h2-3,6-7,12,19H,4-5,8-11H2,1H3,(H2,16,17).
What are the key properties of N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide has a molecular weight of 277.37 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide is sourced from PubChem (CID 106587061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).