2-[(4-tert-butylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide

C17H27N3O — CID 76934516

IUPAC2-[(4-tert-butylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCC(C)(C)C1CCN(Cc2ccccc2C(N)=NO)CC1
InChIInChI=1S/C17H27N3O/c1-17(2,3)14-8-10-20(11-9-14)12-13-6-4-5-7-15(13)16(18)19-21/h4-7,14,21H,8-12H2,1-3H3,(H2,18,19)
InChIKeyGMRPOSXMTLKICJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.04
Rot. Bonds3

About 2-[(4-tert-butylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide

2-[(4-tert-butylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 76934516) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[(4-tert-butylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(4-tert-butylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID76934516
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[(4-tert-butylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCC(C)(C)C1CCN(Cc2ccccc2C(N)=NO)CC1
InChIInChI=1S/C17H27N3O/c1-17(2,3)14-8-10-20(11-9-14)12-13-6-4-5-7-15(13)16(18)19-21/h4-7,14,21H,8-12H2,1-3H3,(H2,18,19)
InChIKeyGMRPOSXMTLKICJ-UHFFFAOYSA-N
XLogP3.04
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.04
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

N'-hydroxy-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 77073352
2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 55158359
N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide
CID 82015571
methyl 2-[(4-tert-butylpiperidin-1-yl)methyl]benzoate
CID 82958884
[2-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]methanamine
CID 62091604
N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 106587061
2-fluoro-N'-hydroxy-3-[(4-hydroxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 107116369
N'-hydroxy-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 102781413
2-[(2-ethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 43266553
N'-hydroxy-2-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzenecarboximidamide
CID 114515915
2-bromo-6-[(4-tert-butylpiperidin-1-yl)methyl]phenol
CID 82986532
[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107113344

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(4-tert-butylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide (CID 76934516) is 2-[(4-tert-butylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(4-tert-butylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(4-tert-butylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide is CC(C)(C)C1CCN(Cc2ccccc2C(N)=NO)CC1.
What is the InChIKey of 2-[(4-tert-butylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is GMRPOSXMTLKICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(2,3)14-8-10-20(11-9-14)12-13-6-4-5-7-15(13)16(18)19-21/h4-7,14,21H,8-12H2,1-3H3,(H2,18,19).
What are the key properties of 2-[(4-tert-butylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide?
2-[(4-tert-butylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 289.42 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76934516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).