1-[(5-fluoro-2-methylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide

C15H22FN3O — CID 107161911

IUPAC1-[(5-fluoro-2-methylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCc1ccc(F)cc1CN1CCC(C)(/C(N)=N/O)CC1
InChIInChI=1S/C15H22FN3O/c1-11-3-4-13(16)9-12(11)10-19-7-5-15(2,6-8-19)14(17)18-20/h3-4,9,20H,5-8,10H2,1-2H3,(H2,17,18)
InChIKeyGZEKLQRQVKLCGT-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.48
Rot. Bonds3

About 1-[(5-fluoro-2-methylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide

1-[(5-fluoro-2-methylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide (PubChem CID 107161911) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
PubChem CID107161911
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name1-[(5-fluoro-2-methylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCc1ccc(F)cc1CN1CCC(C)(/C(N)=N/O)CC1
InChIInChI=1S/C15H22FN3O/c1-11-3-4-13(16)9-12(11)10-19-7-5-15(2,6-8-19)14(17)18-20/h3-4,9,20H,5-8,10H2,1-2H3,(H2,17,18)
InChIKeyGZEKLQRQVKLCGT-UHFFFAOYSA-N
XLogP2.48
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-[(3,4-dimethylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161856
1-[(2-fluoro-3-methoxyphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161826
1-[(3-bromo-4-fluorophenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161861
1-[(5-fluoro-2-methylphenyl)methyl]-3-methylazetidin-3-ol
CID 105374755
1-[(2,4-difluorophenyl)methyl]-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
CID 77108688
1-[(2-bromo-5-methoxyphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161901
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 105372430
N'-hydroxy-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide
CID 107161936
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994265
ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 142195714
1-[(2,4-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124425

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide (CID 107161911) is 1-[(5-fluoro-2-methylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-[(5-fluoro-2-methylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-[(5-fluoro-2-methylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide is Cc1ccc(F)cc1CN1CCC(C)(/C(N)=N/O)CC1.
What is the InChIKey of 1-[(5-fluoro-2-methylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The InChIKey is GZEKLQRQVKLCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-11-3-4-13(16)9-12(11)10-19-7-5-15(2,6-8-19)14(17)18-20/h3-4,9,20H,5-8,10H2,1-2H3,(H2,17,18).
What are the key properties of 1-[(5-fluoro-2-methylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
1-[(5-fluoro-2-methylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide has a molecular weight of 279.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107161911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).