1-[4-(1-fluoropiperidin-3-yl)piperazin-1-yl]ethanone

C11H20FN3O — CID 142272734

IUPAC1-[4-(1-fluoropiperidin-3-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2CCCN(F)C2)CC1
InChIInChI=1S/C11H20FN3O/c1-10(16)13-5-7-14(8-6-13)11-3-2-4-15(12)9-11/h11H,2-9H2,1H3
InChIKeyMXRWZLYOJFUOMP-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.50
Rot. Bonds1

About 1-[4-(1-fluoropiperidin-3-yl)piperazin-1-yl]ethanone

1-[4-(1-fluoropiperidin-3-yl)piperazin-1-yl]ethanone (PubChem CID 142272734) has the molecular formula C11H20FN3O and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-[4-(1-fluoropiperidin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-fluoropiperidin-3-yl)piperazin-1-yl]ethanone
PubChem CID142272734
Molecular FormulaC11H20FN3O
Molecular Weight229.30 g/mol
Exact Mass229.16
IUPAC Name1-[4-(1-fluoropiperidin-3-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2CCCN(F)C2)CC1
InChIInChI=1S/C11H20FN3O/c1-10(16)13-5-7-14(8-6-13)11-3-2-4-15(12)9-11/h11H,2-9H2,1H3
InChIKeyMXRWZLYOJFUOMP-UHFFFAOYSA-N
XLogP0.50
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-(Piperidin-1-yl)piperidin-1-yl)ethanone
CID 14571195
1-(4-Cyclohexyl-1-piperazinyl)ethanone
CID 17249095
1-(Piperidinoacetyl)piperidine
CID 12424322
1-[(1,1-Dimethylpiperidin-1-ium-2-yl)methyl]piperidin-2-one
CID 44350004
1-[(1-Methylpiperidin-2-yl)methyl]piperidin-2-one
CID 44350061
1-(1-Acetyl-4-piperidinyl)-4-ethylpiperazine
CID 781966
N,N-dimethyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 1439627
2-(4-Methylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 3229438
1-[4-(3-Piperidin-1-ylpropyl)piperazin-1-yl]propan-1-one
CID 99714681
N-ethyl-N-(4-fluoro-1-methylpiperidin-3-yl)butanamide
CID 68384803
2-(4-Fluoropiperidin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 117710726
2-(4,4-Difluoropiperidin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 117710780

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-fluoropiperidin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(1-fluoropiperidin-3-yl)piperazin-1-yl]ethanone (CID 142272734) is 1-[4-(1-fluoropiperidin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-fluoropiperidin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-fluoropiperidin-3-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C2CCCN(F)C2)CC1.
What is the InChIKey of 1-[4-(1-fluoropiperidin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is MXRWZLYOJFUOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3O/c1-10(16)13-5-7-14(8-6-13)11-3-2-4-15(12)9-11/h11H,2-9H2,1H3.
What are the key properties of 1-[4-(1-fluoropiperidin-3-yl)piperazin-1-yl]ethanone?
1-[4-(1-fluoropiperidin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 229.30 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-fluoropiperidin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 142272734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).