1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol

C21H22FNO3 — CID 16677240

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
SMILESOC(CN1CC=C(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H22FNO3/c22-18-4-1-15(2-5-18)16-7-9-23(10-8-16)14-19(24)17-3-6-20-21(13-17)26-12-11-25-20/h1-7,13,19,24H,8-12,14H2
InChIKeySVQYGEIDOOWBBN-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.42
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol (PubChem CID 16677240) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
PubChem CID16677240
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
SMILESOC(CN1CC=C(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H22FNO3/c22-18-4-1-15(2-5-18)16-7-9-23(10-8-16)14-19(24)17-3-6-20-21(13-17)26-12-11-25-20/h1-7,13,19,24H,8-12,14H2
InChIKeySVQYGEIDOOWBBN-UHFFFAOYSA-N
XLogP3.42
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol
CID 3261136
(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 51588955
3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[4-(4-fluorophenyl)phenyl]propan-1-ol
CID 3072614
3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol
CID 23362144
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluoroanilino)ethanol
CID 60897392
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 95054921
4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 47069555
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanol
CID 95610496
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70227798
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 65184600
1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 18125075

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol (CID 16677240) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol is OC(CN1CC=C(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol?
The InChIKey is SVQYGEIDOOWBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO3/c22-18-4-1-15(2-5-18)16-7-9-23(10-8-16)14-19(24)17-3-6-20-21(13-17)26-12-11-25-20/h1-7,13,19,24H,8-12,14H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol has a molecular weight of 355.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol is sourced from PubChem (CID 16677240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).