N'-hydroxy-1-(quinolin-8-ylmethyl)piperidine-4-carboximidamide

C16H20N4O — CID 77038510

IUPACN'-hydroxy-1-(quinolin-8-ylmethyl)piperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C16H20N4O/c17-16(19-21)13-6-9-20(10-7-13)11-14-4-1-3-12-5-2-8-18-15(12)14/h1-5,8,13,21H,6-7,9-11H2,(H2,17,19)
InChIKeyNWHQKUBALFEPPJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.19
Rot. Bonds3

About N'-hydroxy-1-(quinolin-8-ylmethyl)piperidine-4-carboximidamide

N'-hydroxy-1-(quinolin-8-ylmethyl)piperidine-4-carboximidamide (PubChem CID 77038510) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N'-hydroxy-1-(quinolin-8-ylmethyl)piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(quinolin-8-ylmethyl)piperidine-4-carboximidamide
PubChem CID77038510
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN'-hydroxy-1-(quinolin-8-ylmethyl)piperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C16H20N4O/c17-16(19-21)13-6-9-20(10-7-13)11-14-4-1-3-12-5-2-8-18-15(12)14/h1-5,8,13,21H,6-7,9-11H2,(H2,17,19)
InChIKeyNWHQKUBALFEPPJ-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
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

1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031197
8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 81423173
1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde
CID 62654466
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
4-(hydroxymethyl)-1-(quinolin-8-ylmethyl)piperidin-4-ol
CID 56760267
1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid
CID 43440675
N'-hydroxy-2-quinolin-8-ylethanimidamide
CID 53412326
8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
CID 30385370
1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone
CID 63845455
N-[3-(3-fluorophenyl)phenyl]-1-(quinolin-8-ylmethyl)piperidine-4-carboxamide
CID 25455158
8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 17451460
8-[[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methyl]quinoline
CID 92566378

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(quinolin-8-ylmethyl)piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-(quinolin-8-ylmethyl)piperidine-4-carboximidamide (CID 77038510) is N'-hydroxy-1-(quinolin-8-ylmethyl)piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(quinolin-8-ylmethyl)piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(quinolin-8-ylmethyl)piperidine-4-carboximidamide is NC(=NO)C1CCN(Cc2cccc3cccnc23)CC1.
What is the InChIKey of N'-hydroxy-1-(quinolin-8-ylmethyl)piperidine-4-carboximidamide?
The InChIKey is NWHQKUBALFEPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-16(19-21)13-6-9-20(10-7-13)11-14-4-1-3-12-5-2-8-18-15(12)14/h1-5,8,13,21H,6-7,9-11H2,(H2,17,19).
What are the key properties of N'-hydroxy-1-(quinolin-8-ylmethyl)piperidine-4-carboximidamide?
N'-hydroxy-1-(quinolin-8-ylmethyl)piperidine-4-carboximidamide has a molecular weight of 284.36 g/mol, XLogP of 2.19, 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-8-ylmethyl)piperidine-4-carboximidamide is sourced from PubChem (CID 77038510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).