2-[[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-ylidene]methyl]-6-methylpyridine

C19H21FN2O2S — CID 71032554

IUPAC2-[[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-ylidene]methyl]-6-methylpyridine
SMILESCc1cccc(C=C2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2)n1
InChIInChI=1S/C19H21FN2O2S/c1-15-4-2-7-19(21-15)13-16-8-10-22(11-9-16)25(23,24)14-17-5-3-6-18(20)12-17/h2-7,12-13H,8-11,14H2,1H3
InChIKeyMRXIYZQOEPPNQP-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.54
Rot. Bonds4

About 2-[[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-ylidene]methyl]-6-methylpyridine

2-[[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-ylidene]methyl]-6-methylpyridine (PubChem CID 71032554) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-[[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-ylidene]methyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-ylidene]methyl]-6-methylpyridine
PubChem CID71032554
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name2-[[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-ylidene]methyl]-6-methylpyridine
SMILESCc1cccc(C=C2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2)n1
InChIInChI=1S/C19H21FN2O2S/c1-15-4-2-7-19(21-15)13-16-8-10-22(11-9-16)25(23,24)14-17-5-3-6-18(20)12-17/h2-7,12-13H,8-11,14H2,1H3
InChIKeyMRXIYZQOEPPNQP-UHFFFAOYSA-N
XLogP3.54
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropylidene-1-[(3-fluorophenyl)methylsulfonyl]piperidine
CID 121187196
2-[[1-(benzenesulfonyl)piperidin-4-ylidene]methyl]-6-methylpyridine
CID 71032491
1-(2,3-dimethylphenyl)-4-[(3-fluorophenyl)methylsulfonyl]piperazine
CID 56587176
6-[4-[(3-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 122340404
1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-[(3-fluorophenyl)methylsulfonyl]-1,4-diazepane
CID 71790626
1-[(3-fluorophenyl)methylsulfonyl]-3-methylpiperazine
CID 119981962
1-[1-[(3-fluorophenyl)methylsulfonyl]azetidin-3-yl]triazole
CID 121154926
1-[(3-fluorophenyl)methylsulfonyl]-4-(2-pyrazol-1-ylethyl)piperazine
CID 121094988
1-[(3-fluorophenyl)methylsulfonyl]-4-[(2-methylphenyl)methyl]-1,4-diazepane
CID 56513139
1-benzylsulfonyl-4-[3-(3-fluorophenyl)propyl]piperazine
CID 110413546
1-[(3-fluorophenyl)methylsulfonyl]-4-(2-imidazol-1-ylethyl)piperazine
CID 90533594
[1-[(3-fluorophenyl)methylsulfonyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120777272

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-ylidene]methyl]-6-methylpyridine?
The IUPAC name of 2-[[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-ylidene]methyl]-6-methylpyridine (CID 71032554) is 2-[[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-ylidene]methyl]-6-methylpyridine.
What is the SMILES notation for 2-[[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-ylidene]methyl]-6-methylpyridine?
The canonical SMILES for 2-[[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-ylidene]methyl]-6-methylpyridine is Cc1cccc(C=C2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2)n1.
What is the InChIKey of 2-[[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-ylidene]methyl]-6-methylpyridine?
The InChIKey is MRXIYZQOEPPNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-15-4-2-7-19(21-15)13-16-8-10-22(11-9-16)25(23,24)14-17-5-3-6-18(20)12-17/h2-7,12-13H,8-11,14H2,1H3.
What are the key properties of 2-[[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-ylidene]methyl]-6-methylpyridine?
2-[[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-ylidene]methyl]-6-methylpyridine has a molecular weight of 360.45 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-ylidene]methyl]-6-methylpyridine is sourced from PubChem (CID 71032554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).