1-(4-fluoropiperidin-1-yl)-3-methylpentane-1,2-dione

C11H18FNO2 — CID 130457139

IUPAC1-(4-fluoropiperidin-1-yl)-3-methylpentane-1,2-dione
SMILESCCC(C)C(=O)C(=O)N1CCC(F)CC1
InChIInChI=1S/C11H18FNO2/c1-3-8(2)10(14)11(15)13-6-4-9(12)5-7-13/h8-9H,3-7H2,1-2H3
InChIKeyYRWZNYYNHGNCRF-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.56
Rot. Bonds3

About 1-(4-fluoropiperidin-1-yl)-3-methylpentane-1,2-dione

1-(4-fluoropiperidin-1-yl)-3-methylpentane-1,2-dione (PubChem CID 130457139) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is 1-(4-fluoropiperidin-1-yl)-3-methylpentane-1,2-dione.

Molecular Properties

Compound Name1-(4-fluoropiperidin-1-yl)-3-methylpentane-1,2-dione
PubChem CID130457139
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Name1-(4-fluoropiperidin-1-yl)-3-methylpentane-1,2-dione
SMILESCCC(C)C(=O)C(=O)N1CCC(F)CC1
InChIInChI=1S/C11H18FNO2/c1-3-8(2)10(14)11(15)13-6-4-9(12)5-7-13/h8-9H,3-7H2,1-2H3
InChIKeyYRWZNYYNHGNCRF-UHFFFAOYSA-N
XLogP1.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-Diacetylpiperidine
CID 2777250
1-(4-Tert-butylpiperidin-1-yl)propane-1,2-dione
CID 13662398
1-Acetoacetyl-4-Methylpiperidine
CID 296335
1-(4-Methylpiperidin-1-yl)pentan-1-one
CID 304082
3-Methyl-1-piperidin-1-ylbutane-1,2-dione
CID 85826753
3-Methyl-1-piperidin-1-ylpentane-1,2-dione
CID 86093435
1-(4-Acetylpiperidin-1-yl)-2-fluoroethanone
CID 57741728
1-(4-Acetylpiperidin-1-yl)-2,2-difluoroethanone
CID 57941135
1-(4-Acetylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 57941142
1-(4-Acetylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 57941149
1-(1-Acetyl-4-fluoropiperidin-4-yl)ethanone
CID 58356032
1-[1-(3,3-Difluorocyclobutanecarbonyl)piperidin-4-yl]ethanone
CID 58356170

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoropiperidin-1-yl)-3-methylpentane-1,2-dione?
The IUPAC name of 1-(4-fluoropiperidin-1-yl)-3-methylpentane-1,2-dione (CID 130457139) is 1-(4-fluoropiperidin-1-yl)-3-methylpentane-1,2-dione.
What is the SMILES notation for 1-(4-fluoropiperidin-1-yl)-3-methylpentane-1,2-dione?
The canonical SMILES for 1-(4-fluoropiperidin-1-yl)-3-methylpentane-1,2-dione is CCC(C)C(=O)C(=O)N1CCC(F)CC1.
What is the InChIKey of 1-(4-fluoropiperidin-1-yl)-3-methylpentane-1,2-dione?
The InChIKey is YRWZNYYNHGNCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO2/c1-3-8(2)10(14)11(15)13-6-4-9(12)5-7-13/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(4-fluoropiperidin-1-yl)-3-methylpentane-1,2-dione?
1-(4-fluoropiperidin-1-yl)-3-methylpentane-1,2-dione has a molecular weight of 215.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoropiperidin-1-yl)-3-methylpentane-1,2-dione is sourced from PubChem (CID 130457139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).