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

C12H25FN4O — CID 81106497

IUPAC2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypentanimidamide
SMILESCCCC(C(N)=NO)N1CCN(CCCF)CC1
InChIInChI=1S/C12H25FN4O/c1-2-4-11(12(14)15-18)17-9-7-16(8-10-17)6-3-5-13/h11,18H,2-10H2,1H3,(H2,14,15)
InChIKeyTWPWTRZGCRGKMZ-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.88
Rot. Bonds7

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

2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypentanimidamide (PubChem CID 81106497) has the molecular formula C12H25FN4O and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypentanimidamide
PubChem CID81106497
Molecular FormulaC12H25FN4O
Molecular Weight260.36 g/mol
Exact Mass260.20
IUPAC Name2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypentanimidamide
SMILESCCCC(C(N)=NO)N1CCN(CCCF)CC1
InChIInChI=1S/C12H25FN4O/c1-2-4-11(12(14)15-18)17-9-7-16(8-10-17)6-3-5-13/h11,18H,2-10H2,1H3,(H2,14,15)
InChIKeyTWPWTRZGCRGKMZ-UHFFFAOYSA-N
XLogP0.88
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.88
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'-hydroxypentanimidamide?
The IUPAC name of 2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypentanimidamide (CID 81106497) is 2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypentanimidamide.
What is the SMILES notation for 2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypentanimidamide?
The canonical SMILES for 2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypentanimidamide is CCCC(C(N)=NO)N1CCN(CCCF)CC1.
What is the InChIKey of 2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypentanimidamide?
The InChIKey is TWPWTRZGCRGKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN4O/c1-2-4-11(12(14)15-18)17-9-7-16(8-10-17)6-3-5-13/h11,18H,2-10H2,1H3,(H2,14,15).
What are the key properties of 2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypentanimidamide?
2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypentanimidamide has a molecular weight of 260.36 g/mol, XLogP of 0.88, 7 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'-hydroxypentanimidamide is sourced from PubChem (CID 81106497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).