5-(3-fluoropropylamino)-1-methylpiperidin-2-one

C9H17FN2O — CID 81106343

IUPAC5-(3-fluoropropylamino)-1-methylpiperidin-2-one
SMILESCN1CC(NCCCF)CCC1=O
InChIInChI=1S/C9H17FN2O/c1-12-7-8(3-4-9(12)13)11-6-2-5-10/h8,11H,2-7H2,1H3
InChIKeyOKHXAHYCWSHHMA-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.56
Rot. Bonds4

About 5-(3-fluoropropylamino)-1-methylpiperidin-2-one

5-(3-fluoropropylamino)-1-methylpiperidin-2-one (PubChem CID 81106343) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 5-(3-fluoropropylamino)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-(3-fluoropropylamino)-1-methylpiperidin-2-one
PubChem CID81106343
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name5-(3-fluoropropylamino)-1-methylpiperidin-2-one
SMILESCN1CC(NCCCF)CCC1=O
InChIInChI=1S/C9H17FN2O/c1-12-7-8(3-4-9(12)13)11-6-2-5-10/h8,11H,2-7H2,1H3
InChIKeyOKHXAHYCWSHHMA-UHFFFAOYSA-N
XLogP0.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropropylamino)-1-methylpiperidin-2-one?
The IUPAC name of 5-(3-fluoropropylamino)-1-methylpiperidin-2-one (CID 81106343) is 5-(3-fluoropropylamino)-1-methylpiperidin-2-one.
What is the SMILES notation for 5-(3-fluoropropylamino)-1-methylpiperidin-2-one?
The canonical SMILES for 5-(3-fluoropropylamino)-1-methylpiperidin-2-one is CN1CC(NCCCF)CCC1=O.
What is the InChIKey of 5-(3-fluoropropylamino)-1-methylpiperidin-2-one?
The InChIKey is OKHXAHYCWSHHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-12-7-8(3-4-9(12)13)11-6-2-5-10/h8,11H,2-7H2,1H3.
What are the key properties of 5-(3-fluoropropylamino)-1-methylpiperidin-2-one?
5-(3-fluoropropylamino)-1-methylpiperidin-2-one has a molecular weight of 188.25 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropropylamino)-1-methylpiperidin-2-one is sourced from PubChem (CID 81106343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).