N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropanimidamide

C12H26N4O2 — CID 77033063

IUPACN'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropanimidamide
SMILESCC(CN1CCN(CC(C)(C)O)CC1)C(N)=NO
InChIInChI=1S/C12H26N4O2/c1-10(11(13)14-18)8-15-4-6-16(7-5-15)9-12(2,3)17/h10,17-18H,4-9H2,1-3H3,(H2,13,14)
InChIKeyACNNPEZIJKYDEH-UHFFFAOYSA-N
MW258.37 g/mol
LogP-0.24
Rot. Bonds5

About N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropanimidamide

N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropanimidamide (PubChem CID 77033063) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropanimidamide
PubChem CID77033063
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC NameN'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropanimidamide
SMILESCC(CN1CCN(CC(C)(C)O)CC1)C(N)=NO
InChIInChI=1S/C12H26N4O2/c1-10(11(13)14-18)8-15-4-6-16(7-5-15)9-12(2,3)17/h10,17-18H,4-9H2,1-3H3,(H2,13,14)
InChIKeyACNNPEZIJKYDEH-UHFFFAOYSA-N
XLogP-0.24
TPSA85.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropanimidamide (CID 77033063) is N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropanimidamide is CC(CN1CCN(CC(C)(C)O)CC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropanimidamide?
The InChIKey is ACNNPEZIJKYDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-10(11(13)14-18)8-15-4-6-16(7-5-15)9-12(2,3)17/h10,17-18H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropanimidamide?
N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropanimidamide has a molecular weight of 258.37 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropanimidamide is sourced from PubChem (CID 77033063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).