2-(4-fluorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol

C15H22FNO3S — CID 79620266

IUPAC2-(4-fluorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol
SMILESCS(=O)(=O)N1CCCC(CC(CO)c2ccc(F)cc2)C1
InChIInChI=1S/C15H22FNO3S/c1-21(19,20)17-8-2-3-12(10-17)9-14(11-18)13-4-6-15(16)7-5-13/h4-7,12,14,18H,2-3,8-11H2,1H3
InChIKeyWEHLFSCEZZNXOQ-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.96
Rot. Bonds5

About 2-(4-fluorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol

2-(4-fluorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol (PubChem CID 79620266) has the molecular formula C15H22FNO3S and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol
PubChem CID79620266
Molecular FormulaC15H22FNO3S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC Name2-(4-fluorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol
SMILESCS(=O)(=O)N1CCCC(CC(CO)c2ccc(F)cc2)C1
InChIInChI=1S/C15H22FNO3S/c1-21(19,20)17-8-2-3-12(10-17)9-14(11-18)13-4-6-15(16)7-5-13/h4-7,12,14,18H,2-3,8-11H2,1H3
InChIKeyWEHLFSCEZZNXOQ-UHFFFAOYSA-N
XLogP1.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-bromo-2-(4-methylphenyl)propyl]-1-methylsulfonylpiperidine
CID 79620394
3-[3-chloro-2-(3-fluorophenyl)propyl]-1-methylsulfonylpiperidine
CID 79620402
1-(3-chloro-4-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79612155
1-(4-fluoro-2-methylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79609526
2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine
CID 79610284
1-(2,5-difluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79612441
3-[3-chloro-2-(3-chlorophenyl)propyl]-1-methylsulfonylpiperidine
CID 79620403
1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79609528
2-(3-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 79619905
2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol
CID 79623080
2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol
CID 105113315
2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol?
The IUPAC name of 2-(4-fluorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol (CID 79620266) is 2-(4-fluorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol?
The canonical SMILES for 2-(4-fluorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol is CS(=O)(=O)N1CCCC(CC(CO)c2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol?
The InChIKey is WEHLFSCEZZNXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3S/c1-21(19,20)17-8-2-3-12(10-17)9-14(11-18)13-4-6-15(16)7-5-13/h4-7,12,14,18H,2-3,8-11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol?
2-(4-fluorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol has a molecular weight of 315.41 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol is sourced from PubChem (CID 79620266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).