1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine

C12H18FNO2S — CID 166062852

IUPAC1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine
SMILESCC1(S(=O)(=O)N2CCCCC2)C=CC(F)=CC1
InChIInChI=1S/C12H18FNO2S/c1-12(7-5-11(13)6-8-12)17(15,16)14-9-3-2-4-10-14/h5-7H,2-4,8-10H2,1H3
InChIKeyXVIYCXQXONCNQK-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.37
Rot. Bonds2

About 1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine

1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine (PubChem CID 166062852) has the molecular formula C12H18FNO2S and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine
PubChem CID166062852
Molecular FormulaC12H18FNO2S
Molecular Weight259.35 g/mol
Exact Mass259.10
IUPAC Name1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine
SMILESCC1(S(=O)(=O)N2CCCCC2)C=CC(F)=CC1
InChIInChI=1S/C12H18FNO2S/c1-12(7-5-11(13)6-8-12)17(15,16)14-9-3-2-4-10-14/h5-7H,2-4,8-10H2,1H3
InChIKeyXVIYCXQXONCNQK-UHFFFAOYSA-N
XLogP2.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylidene-1-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]sulfonylpiperidine
CID 70307102
4-Fluoro-1-hexa-2,4-dien-3-ylsulfonylpiperidine
CID 123796007
1-(4-Butylcyclohexa-1,3-dien-1-yl)sulfonyl-4-methylidenepiperidine
CID 70307954
1-Cyclohexa-1,3-dien-1-ylsulfonyl-4-methylpiperidine
CID 91085982
1-(4-Ethyl-3-methylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine
CID 123402128
1-(1-Methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine
CID 141194739
1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonyl-3,6-dihydro-2H-pyridine
CID 141311194
ethane;4-[(2E,4Z)-hepta-2,4,6-trienyl]-1-methylsulfonylpiperidine
CID 143137140
1-(1,4-Dimethylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine
CID 153535127
1-(1,5-Dimethylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine
CID 153535128
1-(4-Chloro-1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine
CID 167435297
ethane;N-ethyl-N-propylcyclohexa-1,5-diene-1-sulfonamide;yttrium
CID 169259890

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine?
The IUPAC name of 1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine (CID 166062852) is 1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine?
The canonical SMILES for 1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine is CC1(S(=O)(=O)N2CCCCC2)C=CC(F)=CC1.
What is the InChIKey of 1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine?
The InChIKey is XVIYCXQXONCNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2S/c1-12(7-5-11(13)6-8-12)17(15,16)14-9-3-2-4-10-14/h5-7H,2-4,8-10H2,1H3.
What are the key properties of 1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine?
1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine has a molecular weight of 259.35 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine is sourced from PubChem (CID 166062852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).