N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide

C12H18N4O — CID 77041710

IUPACN'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1Cc1cccnc1
InChIInChI=1S/C12H18N4O/c13-12(15-17)11-5-1-2-7-16(11)9-10-4-3-6-14-8-10/h3-4,6,8,11,17H,1-2,5,7,9H2,(H2,13,15)
InChIKeyHKTUQEHJTKNUAW-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.18
Rot. Bonds3

About N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide

N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide (PubChem CID 77041710) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide
PubChem CID77041710
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1Cc1cccnc1
InChIInChI=1S/C12H18N4O/c13-12(15-17)11-5-1-2-7-16(11)9-10-4-3-6-14-8-10/h3-4,6,8,11,17H,1-2,5,7,9H2,(H2,13,15)
InChIKeyHKTUQEHJTKNUAW-UHFFFAOYSA-N
XLogP1.18
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.18
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-[(5-bromo-3-pyridinyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 104797630
1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041337
[(2R,3R)-2-methyl-1-(pyridin-3-ylmethyl)azepan-3-yl]methanamine
CID 96597473
2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine
CID 63759147
N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide
CID 77036050
1-[(4-bromophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041916
3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485
N'-hydroxy-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide
CID 112650471
[(3R)-3-hydroxypiperidin-1-yl]-[(2S)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone
CID 100679012
(3-hydroxypiperidin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone
CID 119032652
N'-hydroxy-1-(2-pyridin-4-ylethyl)piperidine-2-carboximidamide
CID 77041964
2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]acetonitrile
CID 117028174

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide (CID 77041710) is N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide is NC(=NO)C1CCCCN1Cc1cccnc1.
What is the InChIKey of N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide?
The InChIKey is HKTUQEHJTKNUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-12(15-17)11-5-1-2-7-16(11)9-10-4-3-6-14-8-10/h3-4,6,8,11,17H,1-2,5,7,9H2,(H2,13,15).
What are the key properties of N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide?
N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide has a molecular weight of 234.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide is sourced from PubChem (CID 77041710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).