N'-hydroxy-4-(3-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide

C12H25N3O2 — CID 104876713

IUPACN'-hydroxy-4-(3-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide
SMILESCC1(O)CCCN(CCC(C)(C)C(N)=NO)C1
InChIInChI=1S/C12H25N3O2/c1-11(2,10(13)14-17)6-8-15-7-4-5-12(3,16)9-15/h16-17H,4-9H2,1-3H3,(H2,13,14)
InChIKeyRCMBLTGHNVBQBD-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.00
Rot. Bonds4

About N'-hydroxy-4-(3-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide

N'-hydroxy-4-(3-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide (PubChem CID 104876713) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-hydroxy-4-(3-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide
PubChem CID104876713
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-hydroxy-4-(3-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide
SMILESCC1(O)CCCN(CCC(C)(C)C(N)=NO)C1
InChIInChI=1S/C12H25N3O2/c1-11(2,10(13)14-17)6-8-15-7-4-5-12(3,16)9-15/h16-17H,4-9H2,1-3H3,(H2,13,14)
InChIKeyRCMBLTGHNVBQBD-UHFFFAOYSA-N
XLogP1.00
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.00
H-Bond Donors ≤ 53
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

5-(3-Hydroxypiperidin-1-yl)-2,2-dimethylpentanimidamide
CID 65258370
N'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutanimidamide
CID 77061932
N'-hydroxy-5-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide
CID 77063104
N'-hydroxy-2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide
CID 77063578
5-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063618
N'-hydroxy-5-(3-hydroxypiperidin-1-yl)-2,2-dimethylpentanimidamide
CID 77063866
5-(2,2-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063905
N'-hydroxy-5-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpentanimidamide
CID 77063957
N'-hydroxy-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,2-dimethylbutanimidamide
CID 77114035
N'-hydroxy-5-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,2-dimethylpentanimidamide
CID 77114081
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 79380050
N'-hydroxy-5-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpentanimidamide
CID 79380231

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide?
The IUPAC name of N'-hydroxy-4-(3-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide (CID 104876713) is N'-hydroxy-4-(3-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-(3-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-(3-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide is CC1(O)CCCN(CCC(C)(C)C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-4-(3-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide?
The InChIKey is RCMBLTGHNVBQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-11(2,10(13)14-17)6-8-15-7-4-5-12(3,16)9-15/h16-17H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-4-(3-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide?
N'-hydroxy-4-(3-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide is sourced from PubChem (CID 104876713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).