(4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone;oxalic acid

C22H24FNO5 — CID 54585695

IUPAC(4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone;oxalic acid
SMILESO=C(O)C(=O)O.O=C(c1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H22FNO.C2H2O4/c21-19-8-6-17(7-9-19)20(23)18-11-14-22(15-12-18)13-10-16-4-2-1-3-5-16;3-1(4)2(5)6/h1-9,18H,10-15H2;(H,3,4)(H,5,6)
InChIKeyGYDZEIBVFYTUSI-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.12
Rot. Bonds5

About (4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone;oxalic acid

(4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone;oxalic acid (PubChem CID 54585695) has the molecular formula C22H24FNO5 and a molecular weight of 401.43 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone;oxalic acid.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone;oxalic acid
PubChem CID54585695
Molecular FormulaC22H24FNO5
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name(4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone;oxalic acid
SMILESO=C(O)C(=O)O.O=C(c1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H22FNO.C2H2O4/c21-19-8-6-17(7-9-19)20(23)18-11-14-22(15-12-18)13-10-16-4-2-1-3-5-16;3-1(4)2(5)6/h1-9,18H,10-15H2;(H,3,4)(H,5,6)
InChIKeyGYDZEIBVFYTUSI-UHFFFAOYSA-N
XLogP3.12
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Lenperone
CID 32593
(1-Phenethyl-piperidin-4-yl)-phenyl-methanone
CID 10379653
(4-Fluoro-phenyl)-{1-[2-(3-iodo-phenyl)-ethyl]-piperidin-4-yl}-methanone
CID 11729823
2-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)ethanone;(Z)-but-2-enedioic acid;hydrate
CID 44357662
1-(2-Fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone;oxalic acid
CID 16240777
6-[2-[4-(4-Fluorobenzoyl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 9930475
4-(4-Benzyl-piperidin-1-yl)-1-(4-fluoro-phenyl)-butan-1-one
CID 215369
(4-Fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanone
CID 5234410
Phenyl-[1-(4-phenyl-butyl)-piperidin-4-yl]-methanone
CID 10018996
1-(4-Fluoro-phenyl)-2-(1-phenethyl-piperidin-4-yl)-ethanone
CID 10381687
N-(2-phenylethyl)-4-(4-fluorobenzoyl)piperidine
CID 10470715
(1-Benzyl-piperidin-4-yl)-(4-fluoro-phenyl)-methanone
CID 11779386

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone;oxalic acid?
The IUPAC name of (4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone;oxalic acid (CID 54585695) is (4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone;oxalic acid.
What is the SMILES notation for (4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone;oxalic acid?
The canonical SMILES for (4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone;oxalic acid is O=C(O)C(=O)O.O=C(c1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone;oxalic acid?
The InChIKey is GYDZEIBVFYTUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO.C2H2O4/c21-19-8-6-17(7-9-19)20(23)18-11-14-22(15-12-18)13-10-16-4-2-1-3-5-16;3-1(4)2(5)6/h1-9,18H,10-15H2;(H,3,4)(H,5,6).
What are the key properties of (4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone;oxalic acid?
(4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone;oxalic acid has a molecular weight of 401.43 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone;oxalic acid is sourced from PubChem (CID 54585695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).