(2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone

C14H19FN2O2 — CID 54985459

IUPAC(2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2cc(F)ccc2N)C1
InChIInChI=1S/C14H19FN2O2/c1-2-19-11-4-3-7-17(9-11)14(18)12-8-10(15)5-6-13(12)16/h5-6,8,11H,2-4,7,9,16H2,1H3
InChIKeyJGVRREIDOJJPTH-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.05
Rot. Bonds3

About (2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone

(2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone (PubChem CID 54985459) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
PubChem CID54985459
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name(2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2cc(F)ccc2N)C1
InChIInChI=1S/C14H19FN2O2/c1-2-19-11-4-3-7-17(9-11)14(18)12-8-10(15)5-6-13(12)16/h5-6,8,11H,2-4,7,9,16H2,1H3
InChIKeyJGVRREIDOJJPTH-UHFFFAOYSA-N
XLogP2.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 107074957
(2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 107074802
(3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone
CID 55083098
(3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 103940151
(2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 62662335
[(3S)-3-ethoxypiperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 95584023
(2-amino-3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 115540541
(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone
CID 42656402
(3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
CID 54983413
(2-amino-5-fluorophenyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 55217325
3-ethoxy-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 47073858
(2-amino-5-fluorophenyl)-(4-propylpiperidin-1-yl)methanone
CID 62198513

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone?
The IUPAC name of (2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone (CID 54985459) is (2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone is CCOC1CCCN(C(=O)c2cc(F)ccc2N)C1.
What is the InChIKey of (2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone?
The InChIKey is JGVRREIDOJJPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-2-19-11-4-3-7-17(9-11)14(18)12-8-10(15)5-6-13(12)16/h5-6,8,11H,2-4,7,9,16H2,1H3.
What are the key properties of (2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone?
(2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone has a molecular weight of 266.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 54985459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).