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

C14H22N4O — CID 107161936

IUPACN'-hydroxy-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide
SMILESCc1cccc(CN2CCC(C)(/C(N)=N/O)CC2)n1
InChIInChI=1S/C14H22N4O/c1-11-4-3-5-12(16-11)10-18-8-6-14(2,7-9-18)13(15)17-19/h3-5,19H,6-10H2,1-2H3,(H2,15,17)
InChIKeyOMJFMHYJZOHBPK-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.74
Rot. Bonds3

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

N'-hydroxy-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide (PubChem CID 107161936) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide
PubChem CID107161936
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN'-hydroxy-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide
SMILESCc1cccc(CN2CCC(C)(/C(N)=N/O)CC2)n1
InChIInChI=1S/C14H22N4O/c1-11-4-3-5-12(16-11)10-18-8-6-14(2,7-9-18)13(15)17-19/h3-5,19H,6-10H2,1-2H3,(H2,15,17)
InChIKeyOMJFMHYJZOHBPK-UHFFFAOYSA-N
XLogP1.74
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.74
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

3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 79261129
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol
CID 115873962
1-[(5-fluoro-2-methylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161911
8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97449681
1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one
CID 62307525
(3S,4S)-4-methyl-9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 163310131
4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol
CID 74251154
1-[(3R)-3-(hydroxymethyl)-3-methyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124966320
4-[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine
CID 79267762
[2-[[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]methanol
CID 46982833
[1-[(6-methyl-2-pyridinyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 42095166
8-[(6-methyl-2-pyridinyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97449503

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide (CID 107161936) is N'-hydroxy-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide is Cc1cccc(CN2CCC(C)(/C(N)=N/O)CC2)n1.
What is the InChIKey of N'-hydroxy-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide?
The InChIKey is OMJFMHYJZOHBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11-4-3-5-12(16-11)10-18-8-6-14(2,7-9-18)13(15)17-19/h3-5,19H,6-10H2,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide?
N'-hydroxy-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide is sourced from PubChem (CID 107161936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).