4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide

C12H25N3O — CID 81097525

IUPAC4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCC(C)(O)CC1
InChIInChI=1S/C12H25N3O/c1-11(2,10(13)14)4-7-15-8-5-12(3,16)6-9-15/h16H,4-9H2,1-3H3,(H3,13,14)
InChIKeyMJIBOMWCTPUEHV-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.19
Rot. Bonds4

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

4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide (PubChem CID 81097525) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide
PubChem CID81097525
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCC(C)(O)CC1
InChIInChI=1S/C12H25N3O/c1-11(2,10(13)14)4-7-15-8-5-12(3,16)6-9-15/h16H,4-9H2,1-3H3,(H3,13,14)
InChIKeyMJIBOMWCTPUEHV-UHFFFAOYSA-N
XLogP1.19
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide (CID 81097525) is 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCN1CCC(C)(O)CC1.
What is the InChIKey of 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide?
The InChIKey is MJIBOMWCTPUEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-11(2,10(13)14)4-7-15-8-5-12(3,16)6-9-15/h16H,4-9H2,1-3H3,(H3,13,14).
What are the key properties of 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide?
4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide has a molecular weight of 227.35 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide is sourced from PubChem (CID 81097525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).