N'-hydroxy-5-(4-propylpiperazin-1-yl)pentanimidamide

C12H26N4O — CID 54966019

IUPACN'-hydroxy-5-(4-propylpiperazin-1-yl)pentanimidamide
SMILESCCCN1CCN(CCCCC(N)=NO)CC1
InChIInChI=1S/C12H26N4O/c1-2-6-15-8-10-16(11-9-15)7-4-3-5-12(13)14-17/h17H,2-11H2,1H3,(H2,13,14)
InChIKeyAVRJGYWWZWQUTO-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.93
Rot. Bonds7

About N'-hydroxy-5-(4-propylpiperazin-1-yl)pentanimidamide

N'-hydroxy-5-(4-propylpiperazin-1-yl)pentanimidamide (PubChem CID 54966019) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is N'-hydroxy-5-(4-propylpiperazin-1-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(4-propylpiperazin-1-yl)pentanimidamide
PubChem CID54966019
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC NameN'-hydroxy-5-(4-propylpiperazin-1-yl)pentanimidamide
SMILESCCCN1CCN(CCCCC(N)=NO)CC1
InChIInChI=1S/C12H26N4O/c1-2-6-15-8-10-16(11-9-15)7-4-3-5-12(13)14-17/h17H,2-11H2,1H3,(H2,13,14)
InChIKeyAVRJGYWWZWQUTO-UHFFFAOYSA-N
XLogP0.93
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.93
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

N'-hydroxy-3-(piperidin-1-yl)propanimidamide
CID 658234
N'-hydroxy-2-piperidin-1-ylethanimidamide
CID 2737206
N'-hydroxy-4-(piperidin-1-yl)butanimidamide
CID 7358501
2-Piperidinoacetamidoxime
CID 9580383
(1E)-N'-hydroxy-3-(piperidin-1-yl)propanimidamide
CID 5882606
(1Z)-N'-hydroxy-3-piperidin-1-ylpropanimidamide
CID 7358324
1-(Hydroxyimino)-2-piperidylethylamine
CID 5702866
1-(Hydroxyimino)-4-piperidylbutylamine
CID 5910104
CID 658210
CID 658210
(1Z)-N'-Hydroxy-3-(4-methyl-1-piperazinyl)propanimidamide
CID 24692428
N'-hydroxy-2-(2-methylpiperidin-1-yl)ethanimidamide
CID 24697492
N'-hydroxy-4-(4-methylpiperidin-1-yl)butanimidamide
CID 24697862

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(4-propylpiperazin-1-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(4-propylpiperazin-1-yl)pentanimidamide (CID 54966019) is N'-hydroxy-5-(4-propylpiperazin-1-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(4-propylpiperazin-1-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(4-propylpiperazin-1-yl)pentanimidamide is CCCN1CCN(CCCCC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-5-(4-propylpiperazin-1-yl)pentanimidamide?
The InChIKey is AVRJGYWWZWQUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-2-6-15-8-10-16(11-9-15)7-4-3-5-12(13)14-17/h17H,2-11H2,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-5-(4-propylpiperazin-1-yl)pentanimidamide?
N'-hydroxy-5-(4-propylpiperazin-1-yl)pentanimidamide has a molecular weight of 242.37 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(4-propylpiperazin-1-yl)pentanimidamide is sourced from PubChem (CID 54966019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).