1-(2-amino-5-fluorophenyl)-2-piperidin-3-ylethanone

C13H17FN2O — CID 105497823

IUPAC1-(2-amino-5-fluorophenyl)-2-piperidin-3-ylethanone
SMILESNc1ccc(F)cc1C(=O)CC1CCCNC1
InChIInChI=1S/C13H17FN2O/c14-10-3-4-12(15)11(7-10)13(17)6-9-2-1-5-16-8-9/h3-4,7,9,16H,1-2,5-6,8,15H2
InChIKeyASIUHDLWDDKBBW-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.98
Rot. Bonds3

About 1-(2-amino-5-fluorophenyl)-2-piperidin-3-ylethanone

1-(2-amino-5-fluorophenyl)-2-piperidin-3-ylethanone (PubChem CID 105497823) 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-3-ylethanone.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-2-piperidin-3-ylethanone
PubChem CID105497823
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name1-(2-amino-5-fluorophenyl)-2-piperidin-3-ylethanone
SMILESNc1ccc(F)cc1C(=O)CC1CCCNC1
InChIInChI=1S/C13H17FN2O/c14-10-3-4-12(15)11(7-10)13(17)6-9-2-1-5-16-8-9/h3-4,7,9,16H,1-2,5-6,8,15H2
InChIKeyASIUHDLWDDKBBW-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
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-2-ylethanone
CID 105497824
1-(4-fluoro-2-methylphenyl)-2-pyrrolidin-3-ylethanone
CID 116583575
1-(2,3-difluoro-4-methylphenyl)-2-piperidin-3-ylethanone
CID 107514868
1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone
CID 116583525
(2,5-difluorophenyl)-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanone
CID 119930632
4-fluoro-2-[(2-piperidin-3-ylacetyl)amino]benzoic acid
CID 62675630
5-fluoro-N,2-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627610
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462396
N-[(3-fluorophenyl)methyl]-2-piperidin-3-ylacetamide
CID 55105179
N-(2-chloro-4-fluorophenyl)-2-piperidin-3-ylacetamide
CID 62676653
2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide
CID 43371580

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-2-piperidin-3-ylethanone?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-2-piperidin-3-ylethanone (CID 105497823) is 1-(2-amino-5-fluorophenyl)-2-piperidin-3-ylethanone.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-2-piperidin-3-ylethanone?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-2-piperidin-3-ylethanone is Nc1ccc(F)cc1C(=O)CC1CCCNC1.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-2-piperidin-3-ylethanone?
The InChIKey is ASIUHDLWDDKBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-10-3-4-12(15)11(7-10)13(17)6-9-2-1-5-16-8-9/h3-4,7,9,16H,1-2,5-6,8,15H2.
What are the key properties of 1-(2-amino-5-fluorophenyl)-2-piperidin-3-ylethanone?
1-(2-amino-5-fluorophenyl)-2-piperidin-3-ylethanone has a molecular weight of 236.29 g/mol, XLogP of 1.98, 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-3-ylethanone is sourced from PubChem (CID 105497823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).