2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypropanimidamide

C10H21FN4O — CID 81106605

IUPAC2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N1CCN(CCCF)CC1
InChIInChI=1S/C10H21FN4O/c1-9(10(12)13-16)15-7-5-14(6-8-15)4-2-3-11/h9,16H,2-8H2,1H3,(H2,12,13)
InChIKeyVOESSWSEGTYOGO-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.10
Rot. Bonds5

About 2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypropanimidamide

2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypropanimidamide (PubChem CID 81106605) has the molecular formula C10H21FN4O and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypropanimidamide
PubChem CID81106605
Molecular FormulaC10H21FN4O
Molecular Weight232.30 g/mol
Exact Mass232.17
IUPAC Name2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N1CCN(CCCF)CC1
InChIInChI=1S/C10H21FN4O/c1-9(10(12)13-16)15-7-5-14(6-8-15)4-2-3-11/h9,16H,2-8H2,1H3,(H2,12,13)
InChIKeyVOESSWSEGTYOGO-UHFFFAOYSA-N
XLogP0.10
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.10
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 2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypropanimidamide (CID 81106605) is 2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypropanimidamide is CC(C(N)=NO)N1CCN(CCCF)CC1.
What is the InChIKey of 2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The InChIKey is VOESSWSEGTYOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN4O/c1-9(10(12)13-16)15-7-5-14(6-8-15)4-2-3-11/h9,16H,2-8H2,1H3,(H2,12,13).
What are the key properties of 2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypropanimidamide has a molecular weight of 232.30 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypropanimidamide is sourced from PubChem (CID 81106605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).