N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide

C16H20N4O — CID 77036050

IUPACN'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1Cc1ccc2ncccc2c1
InChIInChI=1S/C16H20N4O/c17-16(19-21)15-5-1-2-9-20(15)11-12-6-7-14-13(10-12)4-3-8-18-14/h3-4,6-8,10,15,21H,1-2,5,9,11H2,(H2,17,19)
InChIKeyPJXSVXFIDZOYSE-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.34
Rot. Bonds3

About N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide

N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide (PubChem CID 77036050) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide
PubChem CID77036050
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1Cc1ccc2ncccc2c1
InChIInChI=1S/C16H20N4O/c17-16(19-21)15-5-1-2-9-20(15)11-12-6-7-14-13(10-12)4-3-8-18-14/h3-4,6-8,10,15,21H,1-2,5,9,11H2,(H2,17,19)
InChIKeyPJXSVXFIDZOYSE-UHFFFAOYSA-N
XLogP2.34
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.34
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'}

Analyze N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-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-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide
CID 77036107
[1-(quinolin-6-ylmethyl)piperidin-2-yl]methanamine
CID 43209671
6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline
CID 80673665
2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid
CID 61010277
N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide
CID 77041710
1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041448
1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041337
N'-hydroxy-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide
CID 112650471
3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 62469231
1-[(4-bromophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041916
1-[(3-chloro-4-fluorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 102978042
N'-hydroxy-4-(quinolin-6-ylmethyl)morpholine-2-carboximidamide
CID 79670544

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide (CID 77036050) is N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide is NC(=NO)C1CCCCN1Cc1ccc2ncccc2c1.
What is the InChIKey of N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide?
The InChIKey is PJXSVXFIDZOYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-16(19-21)15-5-1-2-9-20(15)11-12-6-7-14-13(10-12)4-3-8-18-14/h3-4,6-8,10,15,21H,1-2,5,9,11H2,(H2,17,19).
What are the key properties of N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide?
N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide has a molecular weight of 284.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide is sourced from PubChem (CID 77036050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).