(2S)-4-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-1-ol

C20H33NO3 — CID 102075673

IUPAC(2S)-4-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-1-ol
SMILESCOc1ccc(CC[C@@H](CO)ON2C(C)(C)CCCC2(C)C)cc1
InChIInChI=1S/C20H33NO3/c1-19(2)13-6-14-20(3,4)21(19)24-18(15-22)12-9-16-7-10-17(23-5)11-8-16/h7-8,10-11,18,22H,6,9,12-15H2,1-5H3/t18-/m0/s1
InChIKeyHIZMBQLPLSEKIM-SFHVURJKSA-N
MW335.49 g/mol
LogP3.96
Rot. Bonds7

About (2S)-4-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-1-ol

(2S)-4-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-1-ol (PubChem CID 102075673) has the molecular formula C20H33NO3 and a molecular weight of 335.49 g/mol. Its IUPAC name is (2S)-4-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-1-ol.

Molecular Properties

Compound Name(2S)-4-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-1-ol
PubChem CID102075673
Molecular FormulaC20H33NO3
Molecular Weight335.49 g/mol
Exact Mass335.25
IUPAC Name(2S)-4-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-1-ol
SMILESCOc1ccc(CC[C@@H](CO)ON2C(C)(C)CCCC2(C)C)cc1
InChIInChI=1S/C20H33NO3/c1-19(2)13-6-14-20(3,4)21(19)24-18(15-22)12-9-16-7-10-17(23-5)11-8-16/h7-8,10-11,18,22H,6,9,12-15H2,1-5H3/t18-/m0/s1
InChIKeyHIZMBQLPLSEKIM-SFHVURJKSA-N
XLogP3.96
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-4-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-1-ol?
The IUPAC name of (2S)-4-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-1-ol (CID 102075673) is (2S)-4-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-1-ol.
What is the SMILES notation for (2S)-4-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-1-ol?
The canonical SMILES for (2S)-4-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-1-ol is COc1ccc(CC[C@@H](CO)ON2C(C)(C)CCCC2(C)C)cc1.
What is the InChIKey of (2S)-4-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-1-ol?
The InChIKey is HIZMBQLPLSEKIM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H33NO3/c1-19(2)13-6-14-20(3,4)21(19)24-18(15-22)12-9-16-7-10-17(23-5)11-8-16/h7-8,10-11,18,22H,6,9,12-15H2,1-5H3/t18-/m0/s1.
What are the key properties of (2S)-4-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-1-ol?
(2S)-4-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-1-ol has a molecular weight of 335.49 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-1-ol is sourced from PubChem (CID 102075673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).