1-[(3-amino-2-fluoro-6-methoxyphenyl)methyl]piperidin-2-one

C13H17FN2O2 — CID 67995856

IUPAC1-[(3-amino-2-fluoro-6-methoxyphenyl)methyl]piperidin-2-one
SMILESCOc1ccc(N)c(F)c1CN1CCCCC1=O
InChIInChI=1S/C13H17FN2O2/c1-18-11-6-5-10(15)13(14)9(11)8-16-7-3-2-4-12(16)17/h5-6H,2-4,7-8,15H2,1H3
InChIKeyFMXVJTRHAMJWOM-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.93
Rot. Bonds3

About 1-[(3-amino-2-fluoro-6-methoxyphenyl)methyl]piperidin-2-one

1-[(3-amino-2-fluoro-6-methoxyphenyl)methyl]piperidin-2-one (PubChem CID 67995856) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-[(3-amino-2-fluoro-6-methoxyphenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(3-amino-2-fluoro-6-methoxyphenyl)methyl]piperidin-2-one
PubChem CID67995856
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name1-[(3-amino-2-fluoro-6-methoxyphenyl)methyl]piperidin-2-one
SMILESCOc1ccc(N)c(F)c1CN1CCCCC1=O
InChIInChI=1S/C13H17FN2O2/c1-18-11-6-5-10(15)13(14)9(11)8-16-7-3-2-4-12(16)17/h5-6H,2-4,7-8,15H2,1H3
InChIKeyFMXVJTRHAMJWOM-UHFFFAOYSA-N
XLogP1.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-2-fluoro-6-methoxyphenyl)methyl]piperidin-2-one?
The IUPAC name of 1-[(3-amino-2-fluoro-6-methoxyphenyl)methyl]piperidin-2-one (CID 67995856) is 1-[(3-amino-2-fluoro-6-methoxyphenyl)methyl]piperidin-2-one.
What is the SMILES notation for 1-[(3-amino-2-fluoro-6-methoxyphenyl)methyl]piperidin-2-one?
The canonical SMILES for 1-[(3-amino-2-fluoro-6-methoxyphenyl)methyl]piperidin-2-one is COc1ccc(N)c(F)c1CN1CCCCC1=O.
What is the InChIKey of 1-[(3-amino-2-fluoro-6-methoxyphenyl)methyl]piperidin-2-one?
The InChIKey is FMXVJTRHAMJWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-18-11-6-5-10(15)13(14)9(11)8-16-7-3-2-4-12(16)17/h5-6H,2-4,7-8,15H2,1H3.
What are the key properties of 1-[(3-amino-2-fluoro-6-methoxyphenyl)methyl]piperidin-2-one?
1-[(3-amino-2-fluoro-6-methoxyphenyl)methyl]piperidin-2-one has a molecular weight of 252.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-2-fluoro-6-methoxyphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 67995856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).