1-benzyl-N'-hydroxy-4-phenylpiperidine-4-carboximidamide

C19H23N3O — CID 59869115

IUPAC1-benzyl-N'-hydroxy-4-phenylpiperidine-4-carboximidamide
SMILESN/C(=N\O)C1(c2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O/c20-18(21-23)19(17-9-5-2-6-10-17)11-13-22(14-12-19)15-16-7-3-1-4-8-16/h1-10,23H,11-15H2,(H2,20,21)
InChIKeyVNJIEKRMYQFTSL-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.97
Rot. Bonds4

About 1-benzyl-N'-hydroxy-4-phenylpiperidine-4-carboximidamide

1-benzyl-N'-hydroxy-4-phenylpiperidine-4-carboximidamide (PubChem CID 59869115) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-benzyl-N'-hydroxy-4-phenylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-benzyl-N'-hydroxy-4-phenylpiperidine-4-carboximidamide
PubChem CID59869115
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-benzyl-N'-hydroxy-4-phenylpiperidine-4-carboximidamide
SMILESN/C(=N\O)C1(c2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O/c20-18(21-23)19(17-9-5-2-6-10-17)11-13-22(14-12-19)15-16-7-3-1-4-8-16/h1-10,23H,11-15H2,(H2,20,21)
InChIKeyVNJIEKRMYQFTSL-UHFFFAOYSA-N
XLogP2.97
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.97
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'}

Analyze 1-benzyl-N'-hydroxy-4-phenylpiperidine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-1-phenylcyclopropane-1-carboximidamide
CID 59395631
N'-hydroxy-1-phenylcyclopentane-1-carboximidamide
CID 87165177
1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride
CID 87592673
(1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 59395182
(1-benzyl-4-phenylpiperidin-4-yl)methanamine;hydrochloride
CID 170875383
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-benzyl-4-isocyano-4-phenylpiperidine
CID 20812471
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
1-[(3-chlorophenyl)methyl]-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
CID 77108638
1-benzyl-N-(1-fluoropropan-2-yl)-4-phenylpiperidine-4-carboxamide
CID 166370243
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-hydroxy-4-phenylpiperidine-4-carboximidamide?
The IUPAC name of 1-benzyl-N'-hydroxy-4-phenylpiperidine-4-carboximidamide (CID 59869115) is 1-benzyl-N'-hydroxy-4-phenylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-benzyl-N'-hydroxy-4-phenylpiperidine-4-carboximidamide?
The canonical SMILES for 1-benzyl-N'-hydroxy-4-phenylpiperidine-4-carboximidamide is N/C(=N\O)C1(c2ccccc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N'-hydroxy-4-phenylpiperidine-4-carboximidamide?
The InChIKey is VNJIEKRMYQFTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c20-18(21-23)19(17-9-5-2-6-10-17)11-13-22(14-12-19)15-16-7-3-1-4-8-16/h1-10,23H,11-15H2,(H2,20,21).
What are the key properties of 1-benzyl-N'-hydroxy-4-phenylpiperidine-4-carboximidamide?
1-benzyl-N'-hydroxy-4-phenylpiperidine-4-carboximidamide has a molecular weight of 309.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-hydroxy-4-phenylpiperidine-4-carboximidamide is sourced from PubChem (CID 59869115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).