(3R,4R)-1-(4-ethylphenyl)sulfonyl-4-(2-methoxyethyl)-3-methylpiperidin-4-ol

C17H27NO4S — CID 72876877

IUPAC(3R,4R)-1-(4-ethylphenyl)sulfonyl-4-(2-methoxyethyl)-3-methylpiperidin-4-ol
SMILESCCc1ccc(S(=O)(=O)N2CC[C@@](O)(CCOC)[C@H](C)C2)cc1
InChIInChI=1S/C17H27NO4S/c1-4-15-5-7-16(8-6-15)23(20,21)18-11-9-17(19,10-12-22-3)14(2)13-18/h5-8,14,19H,4,9-13H2,1-3H3/t14-,17-/m1/s1
InChIKeyBDGMPAWPIPDFSB-RHSMWYFYSA-N
MW341.47 g/mol
LogP2.05
Rot. Bonds6

About (3R,4R)-1-(4-ethylphenyl)sulfonyl-4-(2-methoxyethyl)-3-methylpiperidin-4-ol

(3R,4R)-1-(4-ethylphenyl)sulfonyl-4-(2-methoxyethyl)-3-methylpiperidin-4-ol (PubChem CID 72876877) has the molecular formula C17H27NO4S and a molecular weight of 341.47 g/mol. Its IUPAC name is (3R,4R)-1-(4-ethylphenyl)sulfonyl-4-(2-methoxyethyl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-(4-ethylphenyl)sulfonyl-4-(2-methoxyethyl)-3-methylpiperidin-4-ol
PubChem CID72876877
Molecular FormulaC17H27NO4S
Molecular Weight341.47 g/mol
Exact Mass341.17
IUPAC Name(3R,4R)-1-(4-ethylphenyl)sulfonyl-4-(2-methoxyethyl)-3-methylpiperidin-4-ol
SMILESCCc1ccc(S(=O)(=O)N2CC[C@@](O)(CCOC)[C@H](C)C2)cc1
InChIInChI=1S/C17H27NO4S/c1-4-15-5-7-16(8-6-15)23(20,21)18-11-9-17(19,10-12-22-3)14(2)13-18/h5-8,14,19H,4,9-13H2,1-3H3/t14-,17-/m1/s1
InChIKeyBDGMPAWPIPDFSB-RHSMWYFYSA-N
XLogP2.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(4-ethylphenyl)sulfonyl-4-(2-methoxyethyl)-3-methylpiperidin-4-ol?
The IUPAC name of (3R,4R)-1-(4-ethylphenyl)sulfonyl-4-(2-methoxyethyl)-3-methylpiperidin-4-ol (CID 72876877) is (3R,4R)-1-(4-ethylphenyl)sulfonyl-4-(2-methoxyethyl)-3-methylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-(4-ethylphenyl)sulfonyl-4-(2-methoxyethyl)-3-methylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-1-(4-ethylphenyl)sulfonyl-4-(2-methoxyethyl)-3-methylpiperidin-4-ol is CCc1ccc(S(=O)(=O)N2CC[C@@](O)(CCOC)[C@H](C)C2)cc1.
What is the InChIKey of (3R,4R)-1-(4-ethylphenyl)sulfonyl-4-(2-methoxyethyl)-3-methylpiperidin-4-ol?
The InChIKey is BDGMPAWPIPDFSB-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H27NO4S/c1-4-15-5-7-16(8-6-15)23(20,21)18-11-9-17(19,10-12-22-3)14(2)13-18/h5-8,14,19H,4,9-13H2,1-3H3/t14-,17-/m1/s1.
What are the key properties of (3R,4R)-1-(4-ethylphenyl)sulfonyl-4-(2-methoxyethyl)-3-methylpiperidin-4-ol?
(3R,4R)-1-(4-ethylphenyl)sulfonyl-4-(2-methoxyethyl)-3-methylpiperidin-4-ol has a molecular weight of 341.47 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(4-ethylphenyl)sulfonyl-4-(2-methoxyethyl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 72876877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).