N'-hydroxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide

C14H22N4O2 — CID 82893848

IUPACN'-hydroxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide
SMILESCOc1cc(C)nc(CN2CCCCC2/C(N)=N/O)c1
InChIInChI=1S/C14H22N4O2/c1-10-7-12(20-2)8-11(16-10)9-18-6-4-3-5-13(18)14(15)17-19/h7-8,13,19H,3-6,9H2,1-2H3,(H2,15,17)
InChIKeyYCHRQSHFFLQLGA-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.50
Rot. Bonds4

About N'-hydroxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide

N'-hydroxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide (PubChem CID 82893848) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N'-hydroxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide
PubChem CID82893848
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN'-hydroxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide
SMILESCOc1cc(C)nc(CN2CCCCC2/C(N)=N/O)c1
InChIInChI=1S/C14H22N4O2/c1-10-7-12(20-2)8-11(16-10)9-18-6-4-3-5-13(18)14(15)17-19/h7-8,13,19H,3-6,9H2,1-2H3,(H2,15,17)
InChIKeyYCHRQSHFFLQLGA-UHFFFAOYSA-N
XLogP1.50
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide (CID 82893848) is N'-hydroxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide is COc1cc(C)nc(CN2CCCCC2/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide?
The InChIKey is YCHRQSHFFLQLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-7-12(20-2)8-11(16-10)9-18-6-4-3-5-13(18)14(15)17-19/h7-8,13,19H,3-6,9H2,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide?
N'-hydroxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide has a molecular weight of 278.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide is sourced from PubChem (CID 82893848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).