N-[1-(3-fluoropropyl)piperidin-4-ylidene]hydroxylamine

C8H15FN2O — CID 81106852

IUPACN-[1-(3-fluoropropyl)piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CCCF)CC1
InChIInChI=1S/C8H15FN2O/c9-4-1-5-11-6-2-8(10-12)3-7-11/h12H,1-7H2
InChIKeyXTOVGNKTTXBFFH-UHFFFAOYSA-N
MW174.22 g/mol
LogP1.27
Rot. Bonds3

About N-[1-(3-fluoropropyl)piperidin-4-ylidene]hydroxylamine

N-[1-(3-fluoropropyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 81106852) has the molecular formula C8H15FN2O and a molecular weight of 174.22 g/mol. Its IUPAC name is N-[1-(3-fluoropropyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3-fluoropropyl)piperidin-4-ylidene]hydroxylamine
PubChem CID81106852
Molecular FormulaC8H15FN2O
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC NameN-[1-(3-fluoropropyl)piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CCCF)CC1
InChIInChI=1S/C8H15FN2O/c9-4-1-5-11-6-2-8(10-12)3-7-11/h12H,1-7H2
InChIKeyXTOVGNKTTXBFFH-UHFFFAOYSA-N
XLogP1.27
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[1-(3-fluoropropyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(3-fluoropropyl)piperidin-4-ylidene]hydroxylamine (CID 81106852) is N-[1-(3-fluoropropyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(3-fluoropropyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(3-fluoropropyl)piperidin-4-ylidene]hydroxylamine is ON=C1CCN(CCCF)CC1.
What is the InChIKey of N-[1-(3-fluoropropyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is XTOVGNKTTXBFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O/c9-4-1-5-11-6-2-8(10-12)3-7-11/h12H,1-7H2.
What are the key properties of N-[1-(3-fluoropropyl)piperidin-4-ylidene]hydroxylamine?
N-[1-(3-fluoropropyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 174.22 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoropropyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 81106852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).