N'-hydroxy-2-(4-pentylpiperazin-1-yl)butanimidamide

C13H28N4O — CID 77012073

IUPACN'-hydroxy-2-(4-pentylpiperazin-1-yl)butanimidamide
SMILESCCCCCN1CCN(C(CC)C(N)=NO)CC1
InChIInChI=1S/C13H28N4O/c1-3-5-6-7-16-8-10-17(11-9-16)12(4-2)13(14)15-18/h12,18H,3-11H2,1-2H3,(H2,14,15)
InChIKeySCAOSMKNSWMMNX-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.32
Rot. Bonds7

About N'-hydroxy-2-(4-pentylpiperazin-1-yl)butanimidamide

N'-hydroxy-2-(4-pentylpiperazin-1-yl)butanimidamide (PubChem CID 77012073) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is N'-hydroxy-2-(4-pentylpiperazin-1-yl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-pentylpiperazin-1-yl)butanimidamide
PubChem CID77012073
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC NameN'-hydroxy-2-(4-pentylpiperazin-1-yl)butanimidamide
SMILESCCCCCN1CCN(C(CC)C(N)=NO)CC1
InChIInChI=1S/C13H28N4O/c1-3-5-6-7-16-8-10-17(11-9-16)12(4-2)13(14)15-18/h12,18H,3-11H2,1-2H3,(H2,14,15)
InChIKeySCAOSMKNSWMMNX-UHFFFAOYSA-N
XLogP1.32
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 80693908
N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide
CID 76915824
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 76915724
2-[4-(2-ethylsulfanylethyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 104863512
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide
CID 76915793
N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide
CID 77012111
2-[4-(6-hydroxyhexyl)piperazin-1-yl]butanethioamide
CID 107703812
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 77012475
2-(4-nonylpiperazin-1-yl)propanethioamide
CID 63341790
N'-hydroxy-1-pentylpiperidine-4-carboximidamide
CID 77038507
N'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide
CID 55219817
2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 55222178

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-pentylpiperazin-1-yl)butanimidamide?
The IUPAC name of N'-hydroxy-2-(4-pentylpiperazin-1-yl)butanimidamide (CID 77012073) is N'-hydroxy-2-(4-pentylpiperazin-1-yl)butanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-pentylpiperazin-1-yl)butanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-pentylpiperazin-1-yl)butanimidamide is CCCCCN1CCN(C(CC)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-(4-pentylpiperazin-1-yl)butanimidamide?
The InChIKey is SCAOSMKNSWMMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-3-5-6-7-16-8-10-17(11-9-16)12(4-2)13(14)15-18/h12,18H,3-11H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-(4-pentylpiperazin-1-yl)butanimidamide?
N'-hydroxy-2-(4-pentylpiperazin-1-yl)butanimidamide has a molecular weight of 256.39 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-pentylpiperazin-1-yl)butanimidamide is sourced from PubChem (CID 77012073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).