4-(2-fluorophenoxy)-1-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperidine

C21H28FN3O4S — CID 42512908

IUPAC4-(2-fluorophenoxy)-1-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperidine
SMILESCS(=O)(=O)c1ncc(CN2CCC(Oc3ccccc3F)CC2)n1C[C@@H]1CCCO1
InChIInChI=1S/C21H28FN3O4S/c1-30(26,27)21-23-13-16(25(21)15-18-5-4-12-28-18)14-24-10-8-17(9-11-24)29-20-7-3-2-6-19(20)22/h2-3,6-7,13,17-18H,4-5,8-12,14-15H2,1H3/t18-/m0/s1
InChIKeyVKAKJSMCMVTHHW-SFHVURJKSA-N
MW437.54 g/mol
LogP2.65
Rot. Bonds7

About 4-(2-fluorophenoxy)-1-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperidine

4-(2-fluorophenoxy)-1-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperidine (PubChem CID 42512908) has the molecular formula C21H28FN3O4S and a molecular weight of 437.54 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-1-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperidine.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-1-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperidine
PubChem CID42512908
Molecular FormulaC21H28FN3O4S
Molecular Weight437.54 g/mol
Exact Mass437.18
IUPAC Name4-(2-fluorophenoxy)-1-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperidine
SMILESCS(=O)(=O)c1ncc(CN2CCC(Oc3ccccc3F)CC2)n1C[C@@H]1CCCO1
InChIInChI=1S/C21H28FN3O4S/c1-30(26,27)21-23-13-16(25(21)15-18-5-4-12-28-18)14-24-10-8-17(9-11-24)29-20-7-3-2-6-19(20)22/h2-3,6-7,13,17-18H,4-5,8-12,14-15H2,1H3/t18-/m0/s1
InChIKeyVKAKJSMCMVTHHW-SFHVURJKSA-N
XLogP2.65
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(2-fluorophenoxy)-1-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperidine with MolForge

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Related Compounds

5-(chloromethyl)-2-methylsulfonyl-1-[[(2S)-oxolan-2-yl]methyl]imidazole
CID 94133723
1-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-4-methylpiperidine
CID 45239287
4-(2-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 46981140
N-methyl-N-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-2-piperidin-1-ylethanamine
CID 45208091
2-methylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole
CID 154760702
4-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde
CID 45201547
N-methyl-N-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-2-pyridin-2-ylethanamine
CID 28849513
N,N,N'-triethyl-N'-[[2-methylsulfonyl-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]ethane-1,2-diamine
CID 29023879
4-methoxy-1-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]piperidine
CID 45244329
3-[4-(2-fluorophenoxy)piperidine-1-carbonyl]-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 172673693
N-methyl-N-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 26399431
(3R)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-3-phenylpiperidine
CID 25287322

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-1-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperidine?
The IUPAC name of 4-(2-fluorophenoxy)-1-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperidine (CID 42512908) is 4-(2-fluorophenoxy)-1-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperidine.
What is the SMILES notation for 4-(2-fluorophenoxy)-1-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperidine?
The canonical SMILES for 4-(2-fluorophenoxy)-1-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperidine is CS(=O)(=O)c1ncc(CN2CCC(Oc3ccccc3F)CC2)n1C[C@@H]1CCCO1.
What is the InChIKey of 4-(2-fluorophenoxy)-1-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperidine?
The InChIKey is VKAKJSMCMVTHHW-SFHVURJKSA-N. The full InChI is InChI=1S/C21H28FN3O4S/c1-30(26,27)21-23-13-16(25(21)15-18-5-4-12-28-18)14-24-10-8-17(9-11-24)29-20-7-3-2-6-19(20)22/h2-3,6-7,13,17-18H,4-5,8-12,14-15H2,1H3/t18-/m0/s1.
What are the key properties of 4-(2-fluorophenoxy)-1-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperidine?
4-(2-fluorophenoxy)-1-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperidine has a molecular weight of 437.54 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-1-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperidine is sourced from PubChem (CID 42512908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).