5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide

C15H31N3O — CID 77064117

IUPAC5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCC1(C)CCN(CCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C15H31N3O/c1-5-15(4)8-11-18(12-9-15)10-6-7-14(2,3)13(16)17-19/h19H,5-12H2,1-4H3,(H2,16,17)
InChIKeySNZCIQQSYQFIFU-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.05
Rot. Bonds6

About 5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77064117) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77064117
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCC1(C)CCN(CCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C15H31N3O/c1-5-15(4)8-11-18(12-9-15)10-6-7-14(2,3)13(16)17-19/h19H,5-12H2,1-4H3,(H2,16,17)
InChIKeySNZCIQQSYQFIFU-UHFFFAOYSA-N
XLogP3.05
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.05
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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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77064117) is 5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide is CCC1(C)CCN(CCCC(C)(C)C(N)=NO)CC1.
What is the InChIKey of 5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is SNZCIQQSYQFIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-15(4)8-11-18(12-9-15)10-6-7-14(2,3)13(16)17-19/h19H,5-12H2,1-4H3,(H2,16,17).
What are the key properties of 5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 269.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77064117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).