N'-hydroxy-3-(4-phenylpiperazin-1-yl)propanimidamide

C13H20N4O — CID 74314009

IUPACN'-hydroxy-3-(4-phenylpiperazin-1-yl)propanimidamide
SMILESNC(CCN1CCN(c2ccccc2)CC1)=NO
InChIInChI=1S/C13H20N4O/c14-13(15-18)6-7-16-8-10-17(11-9-16)12-4-2-1-3-5-12/h1-5,18H,6-11H2,(H2,14,15)
InChIKeyLTMAEKSZQFNYMO-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.95
Rot. Bonds4

About N'-hydroxy-3-(4-phenylpiperazin-1-yl)propanimidamide

N'-hydroxy-3-(4-phenylpiperazin-1-yl)propanimidamide (PubChem CID 74314009) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N'-hydroxy-3-(4-phenylpiperazin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-phenylpiperazin-1-yl)propanimidamide
PubChem CID74314009
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN'-hydroxy-3-(4-phenylpiperazin-1-yl)propanimidamide
SMILESNC(CCN1CCN(c2ccccc2)CC1)=NO
InChIInChI=1S/C13H20N4O/c14-13(15-18)6-7-16-8-10-17(11-9-16)12-4-2-1-3-5-12/h1-5,18H,6-11H2,(H2,14,15)
InChIKeyLTMAEKSZQFNYMO-UHFFFAOYSA-N
XLogP0.95
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-phenylpiperazin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-3-(4-phenylpiperazin-1-yl)propanimidamide (CID 74314009) is N'-hydroxy-3-(4-phenylpiperazin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-phenylpiperazin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-phenylpiperazin-1-yl)propanimidamide is NC(CCN1CCN(c2ccccc2)CC1)=NO.
What is the InChIKey of N'-hydroxy-3-(4-phenylpiperazin-1-yl)propanimidamide?
The InChIKey is LTMAEKSZQFNYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-13(15-18)6-7-16-8-10-17(11-9-16)12-4-2-1-3-5-12/h1-5,18H,6-11H2,(H2,14,15).
What are the key properties of N'-hydroxy-3-(4-phenylpiperazin-1-yl)propanimidamide?
N'-hydroxy-3-(4-phenylpiperazin-1-yl)propanimidamide has a molecular weight of 248.33 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-phenylpiperazin-1-yl)propanimidamide is sourced from PubChem (CID 74314009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).