(4-methylsulfonylphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate

C26H27NO5S — CID 70692113

IUPAC(4-methylsulfonylphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
SMILESCS(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H27NO5S/c1-33(30,31)24-14-12-23(13-15-24)32-25(28)27-18-16-22(17-19-27)26(29,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22,29H,16-19H2,1H3
InChIKeyBUZGCPDHSGYPOS-UHFFFAOYSA-N
MW465.57 g/mol
LogP4.24
Rot. Bonds5

About (4-methylsulfonylphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate

(4-methylsulfonylphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate (PubChem CID 70692113) has the molecular formula C26H27NO5S and a molecular weight of 465.57 g/mol. Its IUPAC name is (4-methylsulfonylphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-methylsulfonylphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
PubChem CID70692113
Molecular FormulaC26H27NO5S
Molecular Weight465.57 g/mol
Exact Mass465.16
IUPAC Name(4-methylsulfonylphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
SMILESCS(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H27NO5S/c1-33(30,31)24-14-12-23(13-15-24)32-25(28)27-18-16-22(17-19-27)26(29,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22,29H,16-19H2,1H3
InChIKeyBUZGCPDHSGYPOS-UHFFFAOYSA-N
XLogP4.24
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzyl 4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)piperidin-1-yl)piperidine-1-carboxylate
CID 44311823
[4-(Diethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
CID 66561565
(4-Ethylsulfonylphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
CID 70683663
(4-Pyrrolidin-1-ylsulfonylphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
CID 70689963
[4-(Dimethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
CID 70696293
Tert-butyl 9-[2-(4-methylsulfonylphenoxy)ethyl]-3-azaspiro[5.5]undecane-3-carboxylate
CID 76683707
{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-ethyl-carbamic acid phenyl ester
CID 44461628
Tert-butyl 4-[5-(4-methylsulfonylphenoxy)pentyl]piperidine-1-carboxylate
CID 145973091
Tert-butyl 4-[6-(4-methylsulfonylphenoxy)hexyl]piperidine-1-carboxylate
CID 145978767
(4-Methoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
CID 70687928
Tert-butyl 9-[3-(4-methylsulfonylphenoxy)propyl]-3-azaspiro[5.5]undecane-3-carboxylate
CID 145968993
Bis(4-fluorophenyl)-[1-[3-(4-methylsulfonylphenoxy)propyl]piperidin-4-yl]methanol
CID 14407131

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
The IUPAC name of (4-methylsulfonylphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate (CID 70692113) is (4-methylsulfonylphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for (4-methylsulfonylphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for (4-methylsulfonylphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate is CS(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of (4-methylsulfonylphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
The InChIKey is BUZGCPDHSGYPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO5S/c1-33(30,31)24-14-12-23(13-15-24)32-25(28)27-18-16-22(17-19-27)26(29,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22,29H,16-19H2,1H3.
What are the key properties of (4-methylsulfonylphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
(4-methylsulfonylphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate has a molecular weight of 465.57 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 70692113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).