4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-ol

C20H24FNO3 — CID 51501554

IUPAC4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-ol
SMILESCOc1ccc([C@@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H24FNO3/c1-25-18-8-2-15(3-9-18)19(23)14-22-12-10-20(24,11-13-22)16-4-6-17(21)7-5-16/h2-9,19,23-24H,10-14H2,1H3/t19-/m0/s1
InChIKeyPVTATJMUURQHFF-IBGZPJMESA-N
MW345.41 g/mol
LogP2.85
Rot. Bonds5

About 4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-ol

4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-ol (PubChem CID 51501554) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-ol
PubChem CID51501554
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-ol
SMILESCOc1ccc([C@@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H24FNO3/c1-25-18-8-2-15(3-9-18)19(23)14-22-12-10-20(24,11-13-22)16-4-6-17(21)7-5-16/h2-9,19,23-24H,10-14H2,1H3/t19-/m0/s1
InChIKeyPVTATJMUURQHFF-IBGZPJMESA-N
XLogP2.85
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-4-(4-methoxyphenyl)piperidin-4-ol
CID 51501364
4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol
CID 18552686
4-(4-chlorophenyl)-1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol
CID 849886
1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-4-(4-methoxyphenyl)piperidin-4-ol
CID 51501484
4-(4-fluorophenyl)-1-[(2S)-2-hydroxy-2-(4-phenylphenyl)ethyl]piperidin-4-ol
CID 51501336
1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 51501506
4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-ol
CID 51501654
4-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol
CID 46954921
1-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 51501610
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
(1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 7036660
N-[4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
CID 110221431

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-ol?
The IUPAC name of 4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-ol (CID 51501554) is 4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-ol?
The canonical SMILES for 4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-ol is COc1ccc([C@@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-ol?
The InChIKey is PVTATJMUURQHFF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24FNO3/c1-25-18-8-2-15(3-9-18)19(23)14-22-12-10-20(24,11-13-22)16-4-6-17(21)7-5-16/h2-9,19,23-24H,10-14H2,1H3/t19-/m0/s1.
What are the key properties of 4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-ol?
4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-ol has a molecular weight of 345.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-ol is sourced from PubChem (CID 51501554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).