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

C13H28N4O — CID 65259062

IUPAC5-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCN(CCO)CC1
InChIInChI=1S/C13H28N4O/c1-13(2,12(14)15)4-3-5-16-6-8-17(9-7-16)10-11-18/h18H,3-11H2,1-2H3,(H3,14,15)
InChIKeyTZWNPLZLFWEPQB-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.34
Rot. Bonds7

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

5-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpentanimidamide (PubChem CID 65259062) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpentanimidamide
PubChem CID65259062
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name5-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCN(CCO)CC1
InChIInChI=1S/C13H28N4O/c1-13(2,12(14)15)4-3-5-16-6-8-17(9-7-16)10-11-18/h18H,3-11H2,1-2H3,(H3,14,15)
InChIKeyTZWNPLZLFWEPQB-UHFFFAOYSA-N
XLogP0.34
TPSA76.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.34
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-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpentanimidamide (CID 65259062) is 5-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN1CCN(CCO)CC1.
What is the InChIKey of 5-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpentanimidamide?
The InChIKey is TZWNPLZLFWEPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-13(2,12(14)15)4-3-5-16-6-8-17(9-7-16)10-11-18/h18H,3-11H2,1-2H3,(H3,14,15).
What are the key properties of 5-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpentanimidamide?
5-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpentanimidamide has a molecular weight of 256.39 g/mol, XLogP of 0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65259062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).