N'-hydroxy-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide

C13H20N4O — CID 112650471

IUPACN'-hydroxy-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide
SMILESCc1cccnc1CN1CCCCC1/C(N)=N/O
InChIInChI=1S/C13H20N4O/c1-10-5-4-7-15-11(10)9-17-8-3-2-6-12(17)13(14)16-18/h4-5,7,12,18H,2-3,6,8-9H2,1H3,(H2,14,16)
InChIKeyABPIKYBQBFHPGW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.49
Rot. Bonds3

About N'-hydroxy-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide

N'-hydroxy-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide (PubChem CID 112650471) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N'-hydroxy-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide
PubChem CID112650471
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN'-hydroxy-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide
SMILESCc1cccnc1CN1CCCCC1/C(N)=N/O
InChIInChI=1S/C13H20N4O/c1-10-5-4-7-15-11(10)9-17-8-3-2-6-12(17)13(14)16-18/h4-5,7,12,18H,2-3,6,8-9H2,1H3,(H2,14,16)
InChIKeyABPIKYBQBFHPGW-UHFFFAOYSA-N
XLogP1.49
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.49
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

ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate
CID 112550209
[(2R)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 103897843
2-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-2-yl]cyclohexan-1-ol
CID 114339826
N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide
CID 77041710
N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide
CID 77036050
1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041448
3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 107072167
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide
CID 103173140
N'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide
CID 77036107
2-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-3-methylpyridine
CID 112651342
3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 110106195
1-[(4-bromophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041916

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide (CID 112650471) is N'-hydroxy-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide is Cc1cccnc1CN1CCCCC1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide?
The InChIKey is ABPIKYBQBFHPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-5-4-7-15-11(10)9-17-8-3-2-6-12(17)13(14)16-18/h4-5,7,12,18H,2-3,6,8-9H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide?
N'-hydroxy-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide has a molecular weight of 248.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide is sourced from PubChem (CID 112650471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).