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

C12H18N4O — CID 77041469

IUPACN'-hydroxy-1-(pyridin-2-ylmethyl)piperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C12H18N4O/c13-12(15-17)10-4-3-7-16(8-10)9-11-5-1-2-6-14-11/h1-2,5-6,10,17H,3-4,7-9H2,(H2,13,15)
InChIKeyCVMDTIPISFBKGS-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.04
Rot. Bonds3

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

N'-hydroxy-1-(pyridin-2-ylmethyl)piperidine-3-carboximidamide (PubChem CID 77041469) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N'-hydroxy-1-(pyridin-2-ylmethyl)piperidine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(pyridin-2-ylmethyl)piperidine-3-carboximidamide
PubChem CID77041469
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN'-hydroxy-1-(pyridin-2-ylmethyl)piperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C12H18N4O/c13-12(15-17)10-4-3-7-16(8-10)9-11-5-1-2-6-14-11/h1-2,5-6,10,17H,3-4,7-9H2,(H2,13,15)
InChIKeyCVMDTIPISFBKGS-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
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-(pyridin-2-ylmethyl)piperidine-3-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

azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 5116844
(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 39221497
1-[(2-chlorophenyl)methyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041309
2-[(3-chloropiperidin-1-yl)methyl]pyridine
CID 63386992
[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol;hydrochloride
CID 167311617
2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 95844895
(4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 4551047
(4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 3783118
2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
CID 95632872
(3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95282049
(3R)-N-(6-methyl-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95139642
[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92577412

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(pyridin-2-ylmethyl)piperidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-(pyridin-2-ylmethyl)piperidine-3-carboximidamide (CID 77041469) is N'-hydroxy-1-(pyridin-2-ylmethyl)piperidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(pyridin-2-ylmethyl)piperidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(pyridin-2-ylmethyl)piperidine-3-carboximidamide is NC(=NO)C1CCCN(Cc2ccccn2)C1.
What is the InChIKey of N'-hydroxy-1-(pyridin-2-ylmethyl)piperidine-3-carboximidamide?
The InChIKey is CVMDTIPISFBKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-12(15-17)10-4-3-7-16(8-10)9-11-5-1-2-6-14-11/h1-2,5-6,10,17H,3-4,7-9H2,(H2,13,15).
What are the key properties of N'-hydroxy-1-(pyridin-2-ylmethyl)piperidine-3-carboximidamide?
N'-hydroxy-1-(pyridin-2-ylmethyl)piperidine-3-carboximidamide has a molecular weight of 234.30 g/mol, XLogP of 1.04, 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-2-ylmethyl)piperidine-3-carboximidamide is sourced from PubChem (CID 77041469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).