1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-4-(4-methoxyphenyl)piperidin-4-ol

C21H27NO3 — CID 51501364

IUPAC1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-4-(4-methoxyphenyl)piperidin-4-ol
SMILESCOc1ccc(C2(O)CCN(C[C@@H](O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C21H27NO3/c1-16-3-5-17(6-4-16)20(23)15-22-13-11-21(24,12-14-22)18-7-9-19(25-2)10-8-18/h3-10,20,23-24H,11-15H2,1-2H3/t20-/m1/s1
InChIKeyJUVYGYQLFSRMOI-HXUWFJFHSA-N
MW341.45 g/mol
LogP3.02
Rot. Bonds5

About 1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-4-(4-methoxyphenyl)piperidin-4-ol

1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-4-(4-methoxyphenyl)piperidin-4-ol (PubChem CID 51501364) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-4-(4-methoxyphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-4-(4-methoxyphenyl)piperidin-4-ol
PubChem CID51501364
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-4-(4-methoxyphenyl)piperidin-4-ol
SMILESCOc1ccc(C2(O)CCN(C[C@@H](O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C21H27NO3/c1-16-3-5-17(6-4-16)20(23)15-22-13-11-21(24,12-14-22)18-7-9-19(25-2)10-8-18/h3-10,20,23-24H,11-15H2,1-2H3/t20-/m1/s1
InChIKeyJUVYGYQLFSRMOI-HXUWFJFHSA-N
XLogP3.02
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-ol
CID 51501554
1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-4-(4-methoxyphenyl)piperidin-4-ol
CID 51501484
4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 42624389
4-(1,3-benzodioxol-5-yl)-1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-ol
CID 51501356
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
1-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 51501610
4-(4-fluorophenyl)-1-[(2S)-2-hydroxy-2-(4-phenylphenyl)ethyl]piperidin-4-ol
CID 51501336
4-(4-chlorophenyl)-1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol
CID 849886
4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol
CID 18552686
1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 60971064
(1R)-1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 95104720

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-4-(4-methoxyphenyl)piperidin-4-ol?
The IUPAC name of 1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-4-(4-methoxyphenyl)piperidin-4-ol (CID 51501364) is 1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-4-(4-methoxyphenyl)piperidin-4-ol.
What is the SMILES notation for 1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-4-(4-methoxyphenyl)piperidin-4-ol?
The canonical SMILES for 1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-4-(4-methoxyphenyl)piperidin-4-ol is COc1ccc(C2(O)CCN(C[C@@H](O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-4-(4-methoxyphenyl)piperidin-4-ol?
The InChIKey is JUVYGYQLFSRMOI-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27NO3/c1-16-3-5-17(6-4-16)20(23)15-22-13-11-21(24,12-14-22)18-7-9-19(25-2)10-8-18/h3-10,20,23-24H,11-15H2,1-2H3/t20-/m1/s1.
What are the key properties of 1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-4-(4-methoxyphenyl)piperidin-4-ol?
1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-4-(4-methoxyphenyl)piperidin-4-ol has a molecular weight of 341.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-4-(4-methoxyphenyl)piperidin-4-ol is sourced from PubChem (CID 51501364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).