1-(4-bromo-2-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol

C14H19BrFNO3S — CID 79612113

IUPAC1-(4-bromo-2-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
SMILESCS(=O)(=O)N1CCCC(CC(O)c2ccc(Br)cc2F)C1
InChIInChI=1S/C14H19BrFNO3S/c1-21(19,20)17-6-2-3-10(9-17)7-14(18)12-5-4-11(15)8-13(12)16/h4-5,8,10,14,18H,2-3,6-7,9H2,1H3
InChIKeyUVKYVNYONHCPES-UHFFFAOYSA-N
MW380.28 g/mol
LogP2.68
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol

1-(4-bromo-2-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol (PubChem CID 79612113) has the molecular formula C14H19BrFNO3S and a molecular weight of 380.28 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
PubChem CID79612113
Molecular FormulaC14H19BrFNO3S
Molecular Weight380.28 g/mol
Exact Mass379.03
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
SMILESCS(=O)(=O)N1CCCC(CC(O)c2ccc(Br)cc2F)C1
InChIInChI=1S/C14H19BrFNO3S/c1-21(19,20)17-6-2-3-10(9-17)7-14(18)12-5-4-11(15)8-13(12)16/h4-5,8,10,14,18H,2-3,6-7,9H2,1H3
InChIKeyUVKYVNYONHCPES-UHFFFAOYSA-N
XLogP2.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Bromophenyl)-3-[(4-bromophenyl)-hydroxymethyl]-1-methylpiperidin-4-ol;methanesulfonic acid
CID 14508077
N-ethyl-4-[(4-fluorophenyl)-hydroxymethyl]-N-methylpiperidine-1-sulfonamide
CID 71911338
4-(4-Bromophenyl)-4-hydroxypiperidine-1-sulfonyl fluoride
CID 177800497
4-(4-Bromophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol
CID 10454898
1-(4-Bromo-2-fluorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-ol
CID 70062408
4-(4-Bromo-2-fluorophenyl)-1-methylsulfonylpiperidin-4-ol
CID 170552593
(1R,2S)-1-(4-bromophenyl)-2-piperidin-1-ylsulfonylpropan-1-ol
CID 134969160
(1R,2S)-2-bromo-1-phenyl-2-piperidin-1-ylsulfonylethanol
CID 134969278
(1-Butylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanol
CID 56794313
(4-Bromo-2,5-difluorophenyl)-piperidin-4-ylmethanol
CID 64213241
1-(4-Bromophenyl)-3-[4-(trifluoromethyl)piperidin-1-yl]propan-1-ol
CID 65531467
1-(4-Bromophenyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-ol
CID 65532050

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol (CID 79612113) is 1-(4-bromo-2-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol is CS(=O)(=O)N1CCCC(CC(O)c2ccc(Br)cc2F)C1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The InChIKey is UVKYVNYONHCPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO3S/c1-21(19,20)17-6-2-3-10(9-17)7-14(18)12-5-4-11(15)8-13(12)16/h4-5,8,10,14,18H,2-3,6-7,9H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
1-(4-bromo-2-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol has a molecular weight of 380.28 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol is sourced from PubChem (CID 79612113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).