1-(2-amino-5-fluorophenyl)-2-piperidin-2-ylethanone

C13H17FN2O — CID 105497824

IUPAC1-(2-amino-5-fluorophenyl)-2-piperidin-2-ylethanone
SMILESNc1ccc(F)cc1C(=O)CC1CCCCN1
InChIInChI=1S/C13H17FN2O/c14-9-4-5-12(15)11(7-9)13(17)8-10-3-1-2-6-16-10/h4-5,7,10,16H,1-3,6,8,15H2
InChIKeyXRVRAIDYLOQTFM-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.12
Rot. Bonds3

About 1-(2-amino-5-fluorophenyl)-2-piperidin-2-ylethanone

1-(2-amino-5-fluorophenyl)-2-piperidin-2-ylethanone (PubChem CID 105497824) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-2-piperidin-2-ylethanone.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-2-piperidin-2-ylethanone
PubChem CID105497824
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name1-(2-amino-5-fluorophenyl)-2-piperidin-2-ylethanone
SMILESNc1ccc(F)cc1C(=O)CC1CCCCN1
InChIInChI=1S/C13H17FN2O/c14-9-4-5-12(15)11(7-9)13(17)8-10-3-1-2-6-16-10/h4-5,7,10,16H,1-3,6,8,15H2
InChIKeyXRVRAIDYLOQTFM-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-fluorophenyl)-2-piperidin-3-ylethanone
CID 105497823
1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone
CID 96581833
2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone
CID 79538703
2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 83120123
1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone
CID 84684796
1-(3-aminophenyl)-2-piperidin-2-ylethanone
CID 84683969
1-(5-chloro-2-fluorophenyl)-2-pyrrolidin-2-ylethanone
CID 116917007
4-fluoro-2-(2-piperidin-2-ylethylsulfanyl)aniline
CID 79143656
2-(azocan-2-yl)-1-(4-bromo-2-chlorophenyl)ethanone
CID 114239637
2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 114239619
2-(azepan-2-yl)-1-(2,4-dichlorophenyl)ethanone
CID 79538236
5-fluoro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 55182007

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-2-piperidin-2-ylethanone?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-2-piperidin-2-ylethanone (CID 105497824) is 1-(2-amino-5-fluorophenyl)-2-piperidin-2-ylethanone.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-2-piperidin-2-ylethanone?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-2-piperidin-2-ylethanone is Nc1ccc(F)cc1C(=O)CC1CCCCN1.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-2-piperidin-2-ylethanone?
The InChIKey is XRVRAIDYLOQTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-9-4-5-12(15)11(7-9)13(17)8-10-3-1-2-6-16-10/h4-5,7,10,16H,1-3,6,8,15H2.
What are the key properties of 1-(2-amino-5-fluorophenyl)-2-piperidin-2-ylethanone?
1-(2-amino-5-fluorophenyl)-2-piperidin-2-ylethanone has a molecular weight of 236.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)-2-piperidin-2-ylethanone is sourced from PubChem (CID 105497824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).