4-(2,6-dimethylpiperidin-1-yl)-N'-hydroxybutanimidamide

C11H23N3O — CID 24711265

IUPAC4-(2,6-dimethylpiperidin-1-yl)-N'-hydroxybutanimidamide
SMILESCC1CCCC(C)N1CCC/C(N)=N/O
InChIInChI=1S/C11H23N3O/c1-9-5-3-6-10(2)14(9)8-4-7-11(12)13-15/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyKHZPYQKIQZHQSN-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.78
Rot. Bonds4

About 4-(2,6-dimethylpiperidin-1-yl)-N'-hydroxybutanimidamide

4-(2,6-dimethylpiperidin-1-yl)-N'-hydroxybutanimidamide (PubChem CID 24711265) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(2,6-dimethylpiperidin-1-yl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(2,6-dimethylpiperidin-1-yl)-N'-hydroxybutanimidamide
PubChem CID24711265
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-(2,6-dimethylpiperidin-1-yl)-N'-hydroxybutanimidamide
SMILESCC1CCCC(C)N1CCC/C(N)=N/O
InChIInChI=1S/C11H23N3O/c1-9-5-3-6-10(2)14(9)8-4-7-11(12)13-15/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyKHZPYQKIQZHQSN-UHFFFAOYSA-N
XLogP1.78
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.78
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

N'-hydroxy-5-(2-methylpiperidin-1-yl)pentanimidamide
CID 109374519
4-(2,5-dimethylpiperidin-1-yl)-N'-hydroxybutanimidamide
CID 77077228
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide
CID 92917685
3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine
CID 7176132
N'-hydroxy-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butanimidamide
CID 76952478
4-(2,4-dimethylpiperidin-1-yl)-N'-hydroxybutanimidamide
CID 76939939
4-(2,6-dimethylpiperidin-1-yl)butan-1-ol
CID 19867661
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid
CID 28972400
N'-hydroxy-5-(3,4,5-trimethylpiperazin-1-yl)pentanimidamide
CID 104937397
4-(2,6-dimethylmorpholin-4-yl)-N'-hydroxybutanimidamide
CID 24710363
4-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxybutanimidamide
CID 77000710
4-(azocan-1-yl)-N'-hydroxybutanimidamide
CID 43211911

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)-N'-hydroxybutanimidamide (CID 24711265) is 4-(2,6-dimethylpiperidin-1-yl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(2,6-dimethylpiperidin-1-yl)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(2,6-dimethylpiperidin-1-yl)-N'-hydroxybutanimidamide is CC1CCCC(C)N1CCC/C(N)=N/O.
What is the InChIKey of 4-(2,6-dimethylpiperidin-1-yl)-N'-hydroxybutanimidamide?
The InChIKey is KHZPYQKIQZHQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9-5-3-6-10(2)14(9)8-4-7-11(12)13-15/h9-10,15H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of 4-(2,6-dimethylpiperidin-1-yl)-N'-hydroxybutanimidamide?
4-(2,6-dimethylpiperidin-1-yl)-N'-hydroxybutanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpiperidin-1-yl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 24711265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).