2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide

C14H20F2N4O — CID 82918142

IUPAC2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCC(/C(N)=N/O)N1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H20F2N4O/c1-10(14(17)18-21)20-6-4-19(5-7-20)9-11-2-3-12(15)13(16)8-11/h2-3,8,10,21H,4-7,9H2,1H3,(H2,17,18)
InChIKeyQECWZBNSAFQHSG-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.22
Rot. Bonds4

About 2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide

2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide (PubChem CID 82918142) has the molecular formula C14H20F2N4O and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide
PubChem CID82918142
Molecular FormulaC14H20F2N4O
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCC(/C(N)=N/O)N1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H20F2N4O/c1-10(14(17)18-21)20-6-4-19(5-7-20)9-11-2-3-12(15)13(16)8-11/h2-3,8,10,21H,4-7,9H2,1H3,(H2,17,18)
InChIKeyQECWZBNSAFQHSG-UHFFFAOYSA-N
XLogP1.22
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.22
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'}

Analyze 2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide (CID 82918142) is 2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide is CC(/C(N)=N/O)N1CCN(Cc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide?
The InChIKey is QECWZBNSAFQHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O/c1-10(14(17)18-21)20-6-4-19(5-7-20)9-11-2-3-12(15)13(16)8-11/h2-3,8,10,21H,4-7,9H2,1H3,(H2,17,18).
What are the key properties of 2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide?
2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide has a molecular weight of 298.34 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide is sourced from PubChem (CID 82918142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).