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

C14H30N4O — CID 65252303

IUPAC4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C14H30N4O/c1-13(2,12(15)16)5-6-17-7-9-18(10-8-17)11-14(3,4)19/h19H,5-11H2,1-4H3,(H3,15,16)
InChIKeyZJKWGYMIPNWBRE-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.73
Rot. Bonds6

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

4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide (PubChem CID 65252303) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide
PubChem CID65252303
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C14H30N4O/c1-13(2,12(15)16)5-6-17-7-9-18(10-8-17)11-14(3,4)19/h19H,5-11H2,1-4H3,(H3,15,16)
InChIKeyZJKWGYMIPNWBRE-UHFFFAOYSA-N
XLogP0.73
TPSA76.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.73
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 4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide (CID 65252303) is 4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCN1CCN(CC(C)(C)O)CC1.
What is the InChIKey of 4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide?
The InChIKey is ZJKWGYMIPNWBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-13(2,12(15)16)5-6-17-7-9-18(10-8-17)11-14(3,4)19/h19H,5-11H2,1-4H3,(H3,15,16).
What are the key properties of 4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide?
4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide has a molecular weight of 270.42 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 65252303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).