(4-fluorophenyl)methyl 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylate

C25H24FNO4S — CID 33497243

IUPAC(4-fluorophenyl)methyl 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylate
SMILESO=C(OCc1ccc(F)cc1)C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C25H24FNO4S/c26-22-13-11-20(12-14-22)19-31-24(28)25(21-7-3-1-4-8-21)15-17-27(18-16-25)32(29,30)23-9-5-2-6-10-23/h1-14H,15-19H2
InChIKeyZIVOCKXVLOBXOM-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.29
Rot. Bonds6

About (4-fluorophenyl)methyl 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylate

(4-fluorophenyl)methyl 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylate (PubChem CID 33497243) has the molecular formula C25H24FNO4S and a molecular weight of 453.54 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylate
PubChem CID33497243
Molecular FormulaC25H24FNO4S
Molecular Weight453.54 g/mol
Exact Mass453.14
IUPAC Name(4-fluorophenyl)methyl 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylate
SMILESO=C(OCc1ccc(F)cc1)C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C25H24FNO4S/c26-22-13-11-20(12-14-22)19-31-24(28)25(21-7-3-1-4-8-21)15-17-27(18-16-25)32(29,30)23-9-5-2-6-10-23/h1-14H,15-19H2
InChIKeyZIVOCKXVLOBXOM-UHFFFAOYSA-N
XLogP4.29
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylate (CID 33497243) is (4-fluorophenyl)methyl 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylate is O=C(OCc1ccc(F)cc1)C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of (4-fluorophenyl)methyl 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylate?
The InChIKey is ZIVOCKXVLOBXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO4S/c26-22-13-11-20(12-14-22)19-31-24(28)25(21-7-3-1-4-8-21)15-17-27(18-16-25)32(29,30)23-9-5-2-6-10-23/h1-14H,15-19H2.
What are the key properties of (4-fluorophenyl)methyl 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylate?
(4-fluorophenyl)methyl 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylate has a molecular weight of 453.54 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 33497243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).