tert-butyl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate

C24H37NO5S — CID 66556121

IUPACtert-butyl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(COC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)CC1
InChIInChI=1S/C24H37NO5S/c1-24(2,3)30-23(26)25-15-13-18(14-16-25)17-29-21-9-5-19(6-10-21)20-7-11-22(12-8-20)31(4,27)28/h7-8,11-12,18-19,21H,5-6,9-10,13-17H2,1-4H3
InChIKeyOFMGEALRYRSXSB-UHFFFAOYSA-N
MW451.63 g/mol
LogP4.78
Rot. Bonds5

About tert-butyl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate

tert-butyl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate (PubChem CID 66556121) has the molecular formula C24H37NO5S and a molecular weight of 451.63 g/mol. Its IUPAC name is tert-butyl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate
PubChem CID66556121
Molecular FormulaC24H37NO5S
Molecular Weight451.63 g/mol
Exact Mass451.24
IUPAC Nametert-butyl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(COC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)CC1
InChIInChI=1S/C24H37NO5S/c1-24(2,3)30-23(26)25-15-13-18(14-16-25)17-29-21-9-5-19(6-10-21)20-7-11-22(12-8-20)31(4,27)28/h7-8,11-12,18-19,21H,5-6,9-10,13-17H2,1-4H3
InChIKeyOFMGEALRYRSXSB-UHFFFAOYSA-N
XLogP4.78
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.63
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate (CID 66556121) is tert-butyl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(COC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)CC1.
What is the InChIKey of tert-butyl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate?
The InChIKey is OFMGEALRYRSXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO5S/c1-24(2,3)30-23(26)25-15-13-18(14-16-25)17-29-21-9-5-19(6-10-21)20-7-11-22(12-8-20)31(4,27)28/h7-8,11-12,18-19,21H,5-6,9-10,13-17H2,1-4H3.
What are the key properties of tert-butyl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate?
tert-butyl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate has a molecular weight of 451.63 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-(4-methylsulfonylphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 66556121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).