1-(4-fluorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid

C20H30FN3O6S — CID 90483247

IUPAC1-(4-fluorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid
SMILESCCCN1CCC(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C18H28FN3O2S.C2H2O4/c1-2-9-20-10-7-17(8-11-20)21-12-14-22(15-13-21)25(23,24)18-5-3-16(19)4-6-18;3-1(4)2(5)6/h3-6,17H,2,7-15H2,1H3;(H,3,4)(H,5,6)
InChIKeySMIYLAYDTCNDJL-UHFFFAOYSA-N
MW459.54 g/mol
LogP1.16
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid

1-(4-fluorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid (PubChem CID 90483247) has the molecular formula C20H30FN3O6S and a molecular weight of 459.54 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid
PubChem CID90483247
Molecular FormulaC20H30FN3O6S
Molecular Weight459.54 g/mol
Exact Mass459.18
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid
SMILESCCCN1CCC(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C18H28FN3O2S.C2H2O4/c1-2-9-20-10-7-17(8-11-20)21-12-14-22(15-13-21)25(23,24)18-5-3-16(19)4-6-18;3-1(4)2(5)6/h3-6,17H,2,7-15H2,1H3;(H,3,4)(H,5,6)
InChIKeySMIYLAYDTCNDJL-UHFFFAOYSA-N
XLogP1.16
TPSA118.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-Benzenesulfonyl-4-isopropyl-piperazine
CID 2879921
1-{1-[(4-Fluorophenyl)sulfonyl]-4-piperidinyl}azepane oxalate
CID 2911963
1-[(4-Fluorophenyl)sulfonyl]-4-pyrrolidin-1-ylpiperidine
CID 2913199
1-Benzenesulfonyl-4-(3-methyl-cyclohexyl)-piperazine
CID 2881352
4-{1-[(4-Fluorophenyl)sulfonyl]-4-piperidinyl}-2,6-dimethylmorpholine oxalate
CID 2911606
1'-[(4-Fluorophenyl)sulfonyl]-4-methyl-1,4'-bipiperidine oxalate
CID 2912389
1-(4-Fluorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine
CID 1529492
Piperazine, 1-[1-(4-fluorobenzenesulfonyl)piperidin-4-yl]-4-methyl-
CID 754215
1-(2-Fluorophenyl)sulfonyl-4-hexylpiperazine-2-carboxylic acid
CID 68428905
1-(4-Fluorophenyl)sulfonyl-4-hexylpiperazine-2-carboxylic acid
CID 68429883
1-[1-(Benzenesulfonyl)piperidin-4-yl]-4-methylpiperazine;oxalic acid
CID 2911542
1-(Benzenesulfonyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine;oxalic acid
CID 17366153

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid (CID 90483247) is 1-(4-fluorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid is CCCN1CCC(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid?
The InChIKey is SMIYLAYDTCNDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O2S.C2H2O4/c1-2-9-20-10-7-17(8-11-20)21-12-14-22(15-13-21)25(23,24)18-5-3-16(19)4-6-18;3-1(4)2(5)6/h3-6,17H,2,7-15H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid?
1-(4-fluorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid has a molecular weight of 459.54 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid is sourced from PubChem (CID 90483247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).