(2R)-1-[(R)-tert-butylsulfinyl]-2-(4-methoxyphenyl)piperidine

C16H25NO2S — CID 164673653

IUPAC(2R)-1-[(R)-tert-butylsulfinyl]-2-(4-methoxyphenyl)piperidine
SMILESCOc1ccc([C@H]2CCCCN2[S@](=O)C(C)(C)C)cc1
InChIInChI=1S/C16H25NO2S/c1-16(2,3)20(18)17-12-6-5-7-15(17)13-8-10-14(19-4)11-9-13/h8-11,15H,5-7,12H2,1-4H3/t15-,20-/m1/s1
InChIKeyZSASPUYMZSKPIO-FOIQADDNSA-N
MW295.45 g/mol
LogP3.68
Rot. Bonds3

About (2R)-1-[(R)-tert-butylsulfinyl]-2-(4-methoxyphenyl)piperidine

(2R)-1-[(R)-tert-butylsulfinyl]-2-(4-methoxyphenyl)piperidine (PubChem CID 164673653) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is (2R)-1-[(R)-tert-butylsulfinyl]-2-(4-methoxyphenyl)piperidine.

Molecular Properties

Compound Name(2R)-1-[(R)-tert-butylsulfinyl]-2-(4-methoxyphenyl)piperidine
PubChem CID164673653
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name(2R)-1-[(R)-tert-butylsulfinyl]-2-(4-methoxyphenyl)piperidine
SMILESCOc1ccc([C@H]2CCCCN2[S@](=O)C(C)(C)C)cc1
InChIInChI=1S/C16H25NO2S/c1-16(2,3)20(18)17-12-6-5-7-15(17)13-8-10-14(19-4)11-9-13/h8-11,15H,5-7,12H2,1-4H3/t15-,20-/m1/s1
InChIKeyZSASPUYMZSKPIO-FOIQADDNSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-1-[(R)-tert-butylsulfinyl]-2-(4-methoxyphenyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[(S)-tert-butylsulfinyl]-2-(4-fluorophenyl)pyrrolidine
CID 46188853
(2S)-1-[(S)-tert-butylsulfinyl]-2-phenylpyrrolidine
CID 71059937
2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69349219
(2R)-1-[(R)-tert-butylsulfinyl]-2-[3-(difluoromethoxy)phenyl]pyrrolidine
CID 178095116
(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
CID 92850085
(2R)-1-ethyl-2-(4-methoxyphenyl)pyrrolidine
CID 124500800
(3R,8aR)-3-(4-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 59036125
3-cyclopentyl-1-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]propan-1-one
CID 95575791
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
1-[(S)-tert-butylsulfinyl]-2-(2-fluorophenyl)pyrrolidine
CID 171036245
(2S)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257339
(2R)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257342

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(R)-tert-butylsulfinyl]-2-(4-methoxyphenyl)piperidine?
The IUPAC name of (2R)-1-[(R)-tert-butylsulfinyl]-2-(4-methoxyphenyl)piperidine (CID 164673653) is (2R)-1-[(R)-tert-butylsulfinyl]-2-(4-methoxyphenyl)piperidine.
What is the SMILES notation for (2R)-1-[(R)-tert-butylsulfinyl]-2-(4-methoxyphenyl)piperidine?
The canonical SMILES for (2R)-1-[(R)-tert-butylsulfinyl]-2-(4-methoxyphenyl)piperidine is COc1ccc([C@H]2CCCCN2[S@](=O)C(C)(C)C)cc1.
What is the InChIKey of (2R)-1-[(R)-tert-butylsulfinyl]-2-(4-methoxyphenyl)piperidine?
The InChIKey is ZSASPUYMZSKPIO-FOIQADDNSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-16(2,3)20(18)17-12-6-5-7-15(17)13-8-10-14(19-4)11-9-13/h8-11,15H,5-7,12H2,1-4H3/t15-,20-/m1/s1.
What are the key properties of (2R)-1-[(R)-tert-butylsulfinyl]-2-(4-methoxyphenyl)piperidine?
(2R)-1-[(R)-tert-butylsulfinyl]-2-(4-methoxyphenyl)piperidine has a molecular weight of 295.45 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(R)-tert-butylsulfinyl]-2-(4-methoxyphenyl)piperidine is sourced from PubChem (CID 164673653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).