4-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol

C20H22FNO4 — CID 46954921

IUPAC4-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol
SMILESOC(CN1CCC(O)(c2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H22FNO4/c21-16-4-1-14(2-5-16)17(23)12-22-9-7-20(24,8-10-22)15-3-6-18-19(11-15)26-13-25-18/h1-6,11,17,23-24H,7-10,12-13H2
InChIKeyBHRGAMRMXYLLIN-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.57
Rot. Bonds4

About 4-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol

4-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol (PubChem CID 46954921) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol
PubChem CID46954921
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name4-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol
SMILESOC(CN1CCC(O)(c2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H22FNO4/c21-16-4-1-14(2-5-16)17(23)12-22-9-7-20(24,8-10-22)15-3-6-18-19(11-15)26-13-25-18/h1-6,11,17,23-24H,7-10,12-13H2
InChIKeyBHRGAMRMXYLLIN-UHFFFAOYSA-N
XLogP2.57
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzodioxol-5-yl)-1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-ol
CID 51501356
4-(1,3-benzodioxol-5-yl)-1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperidin-4-ol
CID 16673266
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
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-(4-methoxyphenyl)ethyl]piperidin-4-ol
CID 51501554
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-(4-fluorophenyl)sulfonylpiperidin-4-ol
CID 652940
(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 51588955
(4R)-6-fluoro-1'-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51503486
1-[1-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 51119941

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol (CID 46954921) is 4-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol is OC(CN1CCC(O)(c2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol?
The InChIKey is BHRGAMRMXYLLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4/c21-16-4-1-14(2-5-16)17(23)12-22-9-7-20(24,8-10-22)15-3-6-18-19(11-15)26-13-25-18/h1-6,11,17,23-24H,7-10,12-13H2.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol?
4-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol has a molecular weight of 359.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol is sourced from PubChem (CID 46954921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).