4-(4-chloro-2-fluorophenoxy)-1-(2-phenylethylsulfonyl)piperidine

C19H21ClFNO3S — CID 175243852

IUPAC4-(4-chloro-2-fluorophenoxy)-1-(2-phenylethylsulfonyl)piperidine
SMILESO=S(=O)(CCc1ccccc1)N1CCC(Oc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C19H21ClFNO3S/c20-16-6-7-19(18(21)14-16)25-17-8-11-22(12-9-17)26(23,24)13-10-15-4-2-1-3-5-15/h1-7,14,17H,8-13H2
InChIKeyYMCBZWAFXWURPI-UHFFFAOYSA-N
MW397.90 g/mol
LogP3.89
Rot. Bonds6

About 4-(4-chloro-2-fluorophenoxy)-1-(2-phenylethylsulfonyl)piperidine

4-(4-chloro-2-fluorophenoxy)-1-(2-phenylethylsulfonyl)piperidine (PubChem CID 175243852) has the molecular formula C19H21ClFNO3S and a molecular weight of 397.90 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenoxy)-1-(2-phenylethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenoxy)-1-(2-phenylethylsulfonyl)piperidine
PubChem CID175243852
Molecular FormulaC19H21ClFNO3S
Molecular Weight397.90 g/mol
Exact Mass397.09
IUPAC Name4-(4-chloro-2-fluorophenoxy)-1-(2-phenylethylsulfonyl)piperidine
SMILESO=S(=O)(CCc1ccccc1)N1CCC(Oc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C19H21ClFNO3S/c20-16-6-7-19(18(21)14-16)25-17-8-11-22(12-9-17)26(23,24)13-10-15-4-2-1-3-5-15/h1-7,14,17H,8-13H2
InChIKeyYMCBZWAFXWURPI-UHFFFAOYSA-N
XLogP3.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.90
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-2-[4-(4-chloro-2-fluorophenoxy)piperidin-1-yl]sulfonyl-1-phenylethyl]carbamic acid
CID 91253803
1-(2-phenylethylsulfonyl)-4-(2-piperidin-1-ylphenoxy)piperidine
CID 174483108
4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidine
CID 90617030
2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]oxy-1,3-benzoxazole
CID 91625081
4-(2-bromoethoxy)-1-(2-phenylethylsulfonyl)piperidine
CID 82689124
(4-chlorophenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone
CID 110394334
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095
4-chloro-1-cyclopentyloxy-2-fluorobenzene
CID 130163329
4-(3-chlorophenoxy)-1-propylsulfonylpiperidine
CID 110358892
1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine
CID 110725489
2-[1-[1-(2-phenylethylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617948
3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
CID 110749816

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenoxy)-1-(2-phenylethylsulfonyl)piperidine?
The IUPAC name of 4-(4-chloro-2-fluorophenoxy)-1-(2-phenylethylsulfonyl)piperidine (CID 175243852) is 4-(4-chloro-2-fluorophenoxy)-1-(2-phenylethylsulfonyl)piperidine.
What is the SMILES notation for 4-(4-chloro-2-fluorophenoxy)-1-(2-phenylethylsulfonyl)piperidine?
The canonical SMILES for 4-(4-chloro-2-fluorophenoxy)-1-(2-phenylethylsulfonyl)piperidine is O=S(=O)(CCc1ccccc1)N1CCC(Oc2ccc(Cl)cc2F)CC1.
What is the InChIKey of 4-(4-chloro-2-fluorophenoxy)-1-(2-phenylethylsulfonyl)piperidine?
The InChIKey is YMCBZWAFXWURPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO3S/c20-16-6-7-19(18(21)14-16)25-17-8-11-22(12-9-17)26(23,24)13-10-15-4-2-1-3-5-15/h1-7,14,17H,8-13H2.
What are the key properties of 4-(4-chloro-2-fluorophenoxy)-1-(2-phenylethylsulfonyl)piperidine?
4-(4-chloro-2-fluorophenoxy)-1-(2-phenylethylsulfonyl)piperidine has a molecular weight of 397.90 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenoxy)-1-(2-phenylethylsulfonyl)piperidine is sourced from PubChem (CID 175243852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).