1-[2-(4-fluorophenyl)ethylsulfonyl]-4-methylpiperidine

C14H20FNO2S — CID 90898405

IUPAC1-[2-(4-fluorophenyl)ethylsulfonyl]-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FNO2S/c1-12-6-9-16(10-7-12)19(17,18)11-8-13-2-4-14(15)5-3-13/h2-5,12H,6-11H2,1H3
InChIKeyOMKJGXHLGKTCEA-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.43
Rot. Bonds4

About 1-[2-(4-fluorophenyl)ethylsulfonyl]-4-methylpiperidine

1-[2-(4-fluorophenyl)ethylsulfonyl]-4-methylpiperidine (PubChem CID 90898405) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethylsulfonyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethylsulfonyl]-4-methylpiperidine
PubChem CID90898405
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC Name1-[2-(4-fluorophenyl)ethylsulfonyl]-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FNO2S/c1-12-6-9-16(10-7-12)19(17,18)11-8-13-2-4-14(15)5-3-13/h2-5,12H,6-11H2,1H3
InChIKeyOMKJGXHLGKTCEA-UHFFFAOYSA-N
XLogP2.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[2-(4-methylphenyl)ethylsulfonyl]piperidine
CID 142176904
N,N-dimethyl-4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzenesulfonamide
CID 110299316
[1-[2-(4-fluorophenyl)ethylsulfonyl]piperidin-4-yl]methylcarbamic acid
CID 141057193
3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
CID 110749816
1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 84589032
N-[[1-[2-(4-fluorophenyl)ethylsulfonyl]piperidin-4-yl]methyl]-1,2-dihydropyrimidin-2-amine
CID 142165516
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide
CID 51121961
N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide
CID 110823021
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
1-(2-chloroethylsulfonyl)-4-methylpiperidine
CID 60722884
1-[2-(4-methoxyphenyl)ethylsulfonyl]-4-(4-methoxyphenyl)sulfonylpiperidine
CID 90592047

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethylsulfonyl]-4-methylpiperidine?
The IUPAC name of 1-[2-(4-fluorophenyl)ethylsulfonyl]-4-methylpiperidine (CID 90898405) is 1-[2-(4-fluorophenyl)ethylsulfonyl]-4-methylpiperidine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethylsulfonyl]-4-methylpiperidine?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethylsulfonyl]-4-methylpiperidine is CC1CCN(S(=O)(=O)CCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethylsulfonyl]-4-methylpiperidine?
The InChIKey is OMKJGXHLGKTCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-12-6-9-16(10-7-12)19(17,18)11-8-13-2-4-14(15)5-3-13/h2-5,12H,6-11H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)ethylsulfonyl]-4-methylpiperidine?
1-[2-(4-fluorophenyl)ethylsulfonyl]-4-methylpiperidine has a molecular weight of 285.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethylsulfonyl]-4-methylpiperidine is sourced from PubChem (CID 90898405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).