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

C12H26N4O — CID 65252430

IUPAC4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCN(CCO)CC1
InChIInChI=1S/C12H26N4O/c1-12(2,11(13)14)3-4-15-5-7-16(8-6-15)9-10-17/h17H,3-10H2,1-2H3,(H3,13,14)
InChIKeyNWQRDYIWBKKELW-UHFFFAOYSA-N
MW242.37 g/mol
LogP-0.05
Rot. Bonds6

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

4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylbutanimidamide (PubChem CID 65252430) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylbutanimidamide
PubChem CID65252430
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCN(CCO)CC1
InChIInChI=1S/C12H26N4O/c1-12(2,11(13)14)3-4-15-5-7-16(8-6-15)9-10-17/h17H,3-10H2,1-2H3,(H3,13,14)
InChIKeyNWQRDYIWBKKELW-UHFFFAOYSA-N
XLogP-0.05
TPSA76.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 5-0.05
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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Related Compounds

4-[4-(2-Hydroxyethyl)piperazin-1-yl]butanimidamide
CID 43592132
3-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide
CID 43592135
2-[4-(2-Hydroxyethyl)piperazin-1-yl]butanimidamide
CID 61697482
2-(4-Butanimidoylpiperazin-1-yl)ethanol
CID 63179011
2-[4-(2,2-Dimethylpropanimidoyl)piperazin-1-yl]ethanol
CID 63179067
4-[2-Hydroxyethyl(methyl)amino]-2,2-dimethylbutanimidamide
CID 65252068
4-[Ethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide
CID 65252070
4-[4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide
CID 65252303
4-[2-Hydroxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide
CID 65252390
4-[Bis(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide
CID 65252432
4-[2-Hydroxyethyl(propyl)amino]-2,2-dimethylbutanimidamide
CID 65252537
4-[Butyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide
CID 65252593

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylbutanimidamide (CID 65252430) is 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCN1CCN(CCO)CC1.
What is the InChIKey of 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylbutanimidamide?
The InChIKey is NWQRDYIWBKKELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-12(2,11(13)14)3-4-15-5-7-16(8-6-15)9-10-17/h17H,3-10H2,1-2H3,(H3,13,14).
What are the key properties of 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylbutanimidamide?
4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylbutanimidamide has a molecular weight of 242.37 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 65252430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).