4-cyclopropylidene-1-[(3-fluorophenyl)methylsulfonyl]piperidine

C15H18FNO2S — CID 121187196

IUPAC4-cyclopropylidene-1-[(3-fluorophenyl)methylsulfonyl]piperidine
SMILESO=S(=O)(Cc1cccc(F)c1)N1CCC(=C2CC2)CC1
InChIInChI=1S/C15H18FNO2S/c16-15-3-1-2-12(10-15)11-20(18,19)17-8-6-14(7-9-17)13-4-5-13/h1-3,10H,4-9,11H2
InChIKeyPRJLIIUOLUKCRW-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.84
Rot. Bonds3

About 4-cyclopropylidene-1-[(3-fluorophenyl)methylsulfonyl]piperidine

4-cyclopropylidene-1-[(3-fluorophenyl)methylsulfonyl]piperidine (PubChem CID 121187196) has the molecular formula C15H18FNO2S and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-cyclopropylidene-1-[(3-fluorophenyl)methylsulfonyl]piperidine.

Molecular Properties

Compound Name4-cyclopropylidene-1-[(3-fluorophenyl)methylsulfonyl]piperidine
PubChem CID121187196
Molecular FormulaC15H18FNO2S
Molecular Weight295.38 g/mol
Exact Mass295.10
IUPAC Name4-cyclopropylidene-1-[(3-fluorophenyl)methylsulfonyl]piperidine
SMILESO=S(=O)(Cc1cccc(F)c1)N1CCC(=C2CC2)CC1
InChIInChI=1S/C15H18FNO2S/c16-15-3-1-2-12(10-15)11-20(18,19)17-8-6-14(7-9-17)13-4-5-13/h1-3,10H,4-9,11H2
InChIKeyPRJLIIUOLUKCRW-UHFFFAOYSA-N
XLogP2.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-ylidene]methyl]-6-methylpyridine
CID 71032554
1-benzylsulfonyl-4-[3-(3-fluorophenyl)propyl]piperazine
CID 110413546
1-(2,3-dimethylphenyl)-4-[(3-fluorophenyl)methylsulfonyl]piperazine
CID 56587176
1-[(3-fluorophenyl)methylsulfonyl]-4-(2-pyrazol-1-ylethyl)piperazine
CID 121094988
1-[(3-fluorophenyl)methylsulfonyl]-3-methylpiperazine
CID 119981962
[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]methanamine
CID 119971950
1-[(3-fluorophenyl)methylsulfonyl]-4-(2-imidazol-1-ylethyl)piperazine
CID 90533594
[1-[(3-fluorophenyl)methylsulfonyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120777272
1-[(3-fluorophenyl)methylsulfonyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 24746587
1-[1-[(3-fluorophenyl)methylsulfonyl]azetidin-3-yl]triazole
CID 121154926
2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]triazole
CID 121178833
3-(benzenesulfonyl)-1-[(3-fluorophenyl)methylsulfonyl]pyrrolidine
CID 71805609

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylidene-1-[(3-fluorophenyl)methylsulfonyl]piperidine?
The IUPAC name of 4-cyclopropylidene-1-[(3-fluorophenyl)methylsulfonyl]piperidine (CID 121187196) is 4-cyclopropylidene-1-[(3-fluorophenyl)methylsulfonyl]piperidine.
What is the SMILES notation for 4-cyclopropylidene-1-[(3-fluorophenyl)methylsulfonyl]piperidine?
The canonical SMILES for 4-cyclopropylidene-1-[(3-fluorophenyl)methylsulfonyl]piperidine is O=S(=O)(Cc1cccc(F)c1)N1CCC(=C2CC2)CC1.
What is the InChIKey of 4-cyclopropylidene-1-[(3-fluorophenyl)methylsulfonyl]piperidine?
The InChIKey is PRJLIIUOLUKCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2S/c16-15-3-1-2-12(10-15)11-20(18,19)17-8-6-14(7-9-17)13-4-5-13/h1-3,10H,4-9,11H2.
What are the key properties of 4-cyclopropylidene-1-[(3-fluorophenyl)methylsulfonyl]piperidine?
4-cyclopropylidene-1-[(3-fluorophenyl)methylsulfonyl]piperidine has a molecular weight of 295.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylidene-1-[(3-fluorophenyl)methylsulfonyl]piperidine is sourced from PubChem (CID 121187196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).