1-benzyl-4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine

C23H29FN2O3S — CID 91916452

IUPAC1-benzyl-4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine
SMILESO=S(=O)(c1cccc(F)c1)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H29FN2O3S/c24-20-7-4-8-23(17-20)30(27,28)26-15-11-22(12-16-26)29-21-9-13-25(14-10-21)18-19-5-2-1-3-6-19/h1-8,17,21-22H,9-16,18H2
InChIKeyKNKAWXWYDZTLFZ-UHFFFAOYSA-N
MW432.56 g/mol
LogP3.66
Rot. Bonds6

About 1-benzyl-4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine

1-benzyl-4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine (PubChem CID 91916452) has the molecular formula C23H29FN2O3S and a molecular weight of 432.56 g/mol. Its IUPAC name is 1-benzyl-4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine.

Molecular Properties

Compound Name1-benzyl-4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine
PubChem CID91916452
Molecular FormulaC23H29FN2O3S
Molecular Weight432.56 g/mol
Exact Mass432.19
IUPAC Name1-benzyl-4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine
SMILESO=S(=O)(c1cccc(F)c1)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H29FN2O3S/c24-20-7-4-8-23(17-20)30(27,28)26-15-11-22(12-16-26)29-21-9-13-25(14-10-21)18-19-5-2-1-3-6-19/h1-8,17,21-22H,9-16,18H2
InChIKeyKNKAWXWYDZTLFZ-UHFFFAOYSA-N
XLogP3.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(Benzenesulfonyl)-2-benzyl-2,9-diazaspiro[5.5]undecane
CID 3232729
1-Benzyl-4-((4-fluorophenyl)sulfonyl)piperazine
CID 563073
N-[(4-Fluorophenyl)methyl]-N-[(oxolan-2-YL)methyl]-4-(piperidine-1-sulfonyl)benzene-1-sulfonamide
CID 3189887
N-Benzyl-9-(4-fluorobenzenesulfonyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91908256
4-[(1-Benzyl-4-piperidyl)oxy]-1-[(5-fluoro-2-methylphenyl)sulfonyl]piperidine
CID 91916450
1-[(4-Fluorophenyl)methyl]-4-(phenylsulfonyl)piperazine
CID 782159
4-[(1-Benzyl-4-piperidyl)oxy]-1-[(3,4-dimethylphenyl)sulfonyl]piperidine
CID 91906242
4-[4-(4-Benzyl-piperazine-1-sulfonyl)-benzenesulfonyl]-morpholine
CID 653936
1-(2-Fluorobenzyl)-4-(phenylsulfonyl)piperazine
CID 831551
1-Benzyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 852183
1-Benzyl-4-((2-fluorophenyl)sulfonyl)piperazine
CID 1236403
3-(Benzenesulfonyl)-9-benzyl-3,9-diazaspiro[5.5]undecane
CID 3233530

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine?
The IUPAC name of 1-benzyl-4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine (CID 91916452) is 1-benzyl-4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine.
What is the SMILES notation for 1-benzyl-4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine?
The canonical SMILES for 1-benzyl-4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine is O=S(=O)(c1cccc(F)c1)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-benzyl-4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine?
The InChIKey is KNKAWXWYDZTLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O3S/c24-20-7-4-8-23(17-20)30(27,28)26-15-11-22(12-16-26)29-21-9-13-25(14-10-21)18-19-5-2-1-3-6-19/h1-8,17,21-22H,9-16,18H2.
What are the key properties of 1-benzyl-4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine?
1-benzyl-4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine has a molecular weight of 432.56 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]oxypiperidine is sourced from PubChem (CID 91916452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).