1-amino-1-(1-fluoropiperidin-4-yl)propan-2-one

C8H15FN2O — CID 142905732

IUPAC1-amino-1-(1-fluoropiperidin-4-yl)propan-2-one
SMILESCC(=O)C(N)C1CCN(F)CC1
InChIInChI=1S/C8H15FN2O/c1-6(12)8(10)7-2-4-11(9)5-3-7/h7-8H,2-5,10H2,1H3
InChIKeyNZNDAKSDLQBGRD-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.50
Rot. Bonds2

About 1-amino-1-(1-fluoropiperidin-4-yl)propan-2-one

1-amino-1-(1-fluoropiperidin-4-yl)propan-2-one (PubChem CID 142905732) has the molecular formula C8H15FN2O and a molecular weight of 174.22 g/mol. Its IUPAC name is 1-amino-1-(1-fluoropiperidin-4-yl)propan-2-one.

Molecular Properties

Compound Name1-amino-1-(1-fluoropiperidin-4-yl)propan-2-one
PubChem CID142905732
Molecular FormulaC8H15FN2O
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Name1-amino-1-(1-fluoropiperidin-4-yl)propan-2-one
SMILESCC(=O)C(N)C1CCN(F)CC1
InChIInChI=1S/C8H15FN2O/c1-6(12)8(10)7-2-4-11(9)5-3-7/h7-8H,2-5,10H2,1H3
InChIKeyNZNDAKSDLQBGRD-UHFFFAOYSA-N
XLogP0.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(1-fluoropiperidin-4-yl)propan-2-one?
The IUPAC name of 1-amino-1-(1-fluoropiperidin-4-yl)propan-2-one (CID 142905732) is 1-amino-1-(1-fluoropiperidin-4-yl)propan-2-one.
What is the SMILES notation for 1-amino-1-(1-fluoropiperidin-4-yl)propan-2-one?
The canonical SMILES for 1-amino-1-(1-fluoropiperidin-4-yl)propan-2-one is CC(=O)C(N)C1CCN(F)CC1.
What is the InChIKey of 1-amino-1-(1-fluoropiperidin-4-yl)propan-2-one?
The InChIKey is NZNDAKSDLQBGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O/c1-6(12)8(10)7-2-4-11(9)5-3-7/h7-8H,2-5,10H2,1H3.
What are the key properties of 1-amino-1-(1-fluoropiperidin-4-yl)propan-2-one?
1-amino-1-(1-fluoropiperidin-4-yl)propan-2-one has a molecular weight of 174.22 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(1-fluoropiperidin-4-yl)propan-2-one is sourced from PubChem (CID 142905732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).