N'-hydroxy-4-methyl-1-(2-methylbutyl)piperidine-4-carboximidamide

C12H25N3O — CID 107161764

IUPACN'-hydroxy-4-methyl-1-(2-methylbutyl)piperidine-4-carboximidamide
SMILESCCC(C)CN1CCC(C)(C(N)=NO)CC1
InChIInChI=1S/C12H25N3O/c1-4-10(2)9-15-7-5-12(3,6-8-15)11(13)14-16/h10,16H,4-9H2,1-3H3,(H2,13,14)
InChIKeyCHPXWHHCAPXBOR-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.88
Rot. Bonds4

About N'-hydroxy-4-methyl-1-(2-methylbutyl)piperidine-4-carboximidamide

N'-hydroxy-4-methyl-1-(2-methylbutyl)piperidine-4-carboximidamide (PubChem CID 107161764) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-1-(2-methylbutyl)piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-1-(2-methylbutyl)piperidine-4-carboximidamide
PubChem CID107161764
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN'-hydroxy-4-methyl-1-(2-methylbutyl)piperidine-4-carboximidamide
SMILESCCC(C)CN1CCC(C)(C(N)=NO)CC1
InChIInChI=1S/C12H25N3O/c1-4-10(2)9-15-7-5-12(3,6-8-15)11(13)14-16/h10,16H,4-9H2,1-3H3,(H2,13,14)
InChIKeyCHPXWHHCAPXBOR-UHFFFAOYSA-N
XLogP1.88
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-decyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161754
1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161726
4-methyl-1-(2-methylbutyl)azepan-4-ol
CID 107407764
1-(3-ethylsulfonylpropyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161897
1-(3-hydroxy-2-methylpropyl)-4-methylpiperidine-4-carbothioamide
CID 107161484
3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
CID 156860444
3-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 76986711
N'-hydroxy-1-(4-methoxy-3-methylbutanoyl)-4-methylpiperidine-4-carboximidamide
CID 107162347
N'-hydroxy-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboximidamide
CID 107161765
1-(2,2-dimethylbutanoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162538
1-(2-hydroxypropyl)-4-methylpiperidine-4-carbothioamide
CID 107161389
1-[(3,4-dimethylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161856

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-1-(2-methylbutyl)piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-1-(2-methylbutyl)piperidine-4-carboximidamide (CID 107161764) is N'-hydroxy-4-methyl-1-(2-methylbutyl)piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-1-(2-methylbutyl)piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-1-(2-methylbutyl)piperidine-4-carboximidamide is CCC(C)CN1CCC(C)(C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-4-methyl-1-(2-methylbutyl)piperidine-4-carboximidamide?
The InChIKey is CHPXWHHCAPXBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-10(2)9-15-7-5-12(3,6-8-15)11(13)14-16/h10,16H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-4-methyl-1-(2-methylbutyl)piperidine-4-carboximidamide?
N'-hydroxy-4-methyl-1-(2-methylbutyl)piperidine-4-carboximidamide has a molecular weight of 227.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-1-(2-methylbutyl)piperidine-4-carboximidamide is sourced from PubChem (CID 107161764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).