5-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpentanimidamide

C15H32N4O — CID 65258145

IUPAC5-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C15H32N4O/c1-14(2,13(16)17)6-5-7-18-8-10-19(11-9-18)12-15(3,4)20/h20H,5-12H2,1-4H3,(H3,16,17)
InChIKeyQZKOOJOWHABZEN-UHFFFAOYSA-N
MW284.45 g/mol
LogP1.12
Rot. Bonds7

About 5-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpentanimidamide

5-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpentanimidamide (PubChem CID 65258145) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 5-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpentanimidamide
PubChem CID65258145
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name5-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C15H32N4O/c1-14(2,13(16)17)6-5-7-18-8-10-19(11-9-18)12-15(3,4)20/h20H,5-12H2,1-4H3,(H3,16,17)
InChIKeyQZKOOJOWHABZEN-UHFFFAOYSA-N
XLogP1.12
TPSA76.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 51.12
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpentanimidamide (CID 65258145) is 5-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN1CCN(CC(C)(C)O)CC1.
What is the InChIKey of 5-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpentanimidamide?
The InChIKey is QZKOOJOWHABZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-14(2,13(16)17)6-5-7-18-8-10-19(11-9-18)12-15(3,4)20/h20H,5-12H2,1-4H3,(H3,16,17).
What are the key properties of 5-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpentanimidamide?
5-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpentanimidamide has a molecular weight of 284.45 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65258145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).