2-[(4-fluorophenyl)methylamino]-1-(2-methylpiperidin-1-yl)ethanone;oxalic acid

C17H23FN2O5 — CID 24761068

IUPAC2-[(4-fluorophenyl)methylamino]-1-(2-methylpiperidin-1-yl)ethanone;oxalic acid
SMILESCC1CCCCN1C(=O)CNCc1ccc(F)cc1.O=C(O)C(=O)O
InChIInChI=1S/C15H21FN2O.C2H2O4/c1-12-4-2-3-9-18(12)15(19)11-17-10-13-5-7-14(16)8-6-13;3-1(4)2(5)6/h5-8,12,17H,2-4,9-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyOEQPSARCLSDAIF-UHFFFAOYSA-N
MW354.38 g/mol
LogP1.47
Rot. Bonds4

About 2-[(4-fluorophenyl)methylamino]-1-(2-methylpiperidin-1-yl)ethanone;oxalic acid

2-[(4-fluorophenyl)methylamino]-1-(2-methylpiperidin-1-yl)ethanone;oxalic acid (PubChem CID 24761068) has the molecular formula C17H23FN2O5 and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-1-(2-methylpiperidin-1-yl)ethanone;oxalic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-1-(2-methylpiperidin-1-yl)ethanone;oxalic acid
PubChem CID24761068
Molecular FormulaC17H23FN2O5
Molecular Weight354.38 g/mol
Exact Mass354.16
IUPAC Name2-[(4-fluorophenyl)methylamino]-1-(2-methylpiperidin-1-yl)ethanone;oxalic acid
SMILESCC1CCCCN1C(=O)CNCc1ccc(F)cc1.O=C(O)C(=O)O
InChIInChI=1S/C15H21FN2O.C2H2O4/c1-12-4-2-3-9-18(12)15(19)11-17-10-13-5-7-14(16)8-6-13;3-1(4)2(5)6/h5-8,12,17H,2-4,9-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyOEQPSARCLSDAIF-UHFFFAOYSA-N
XLogP1.47
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-1-(2-methylpiperidin-1-yl)ethanone;oxalic acid?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-1-(2-methylpiperidin-1-yl)ethanone;oxalic acid (CID 24761068) is 2-[(4-fluorophenyl)methylamino]-1-(2-methylpiperidin-1-yl)ethanone;oxalic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-1-(2-methylpiperidin-1-yl)ethanone;oxalic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-1-(2-methylpiperidin-1-yl)ethanone;oxalic acid is CC1CCCCN1C(=O)CNCc1ccc(F)cc1.O=C(O)C(=O)O.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-1-(2-methylpiperidin-1-yl)ethanone;oxalic acid?
The InChIKey is OEQPSARCLSDAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O.C2H2O4/c1-12-4-2-3-9-18(12)15(19)11-17-10-13-5-7-14(16)8-6-13;3-1(4)2(5)6/h5-8,12,17H,2-4,9-11H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-1-(2-methylpiperidin-1-yl)ethanone;oxalic acid?
2-[(4-fluorophenyl)methylamino]-1-(2-methylpiperidin-1-yl)ethanone;oxalic acid has a molecular weight of 354.38 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-1-(2-methylpiperidin-1-yl)ethanone;oxalic acid is sourced from PubChem (CID 24761068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).