(3R)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-3-phenylpiperidine

C23H26FN3O2S — CID 25287322

IUPAC(3R)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-3-phenylpiperidine
SMILESCS(=O)(=O)c1ncc(CN2CCC[C@H](c3ccccc3)C2)n1Cc1ccccc1F
InChIInChI=1S/C23H26FN3O2S/c1-30(28,29)23-25-14-21(27(23)16-20-10-5-6-12-22(20)24)17-26-13-7-11-19(15-26)18-8-3-2-4-9-18/h2-6,8-10,12,14,19H,7,11,13,15-17H2,1H3/t19-/m0/s1
InChIKeyGETALRFPEDVHNQ-IBGZPJMESA-N
MW427.55 g/mol
LogP3.85
Rot. Bonds6

About (3R)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-3-phenylpiperidine

(3R)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-3-phenylpiperidine (PubChem CID 25287322) has the molecular formula C23H26FN3O2S and a molecular weight of 427.55 g/mol. Its IUPAC name is (3R)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-3-phenylpiperidine.

Molecular Properties

Compound Name(3R)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-3-phenylpiperidine
PubChem CID25287322
Molecular FormulaC23H26FN3O2S
Molecular Weight427.55 g/mol
Exact Mass427.17
IUPAC Name(3R)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-3-phenylpiperidine
SMILESCS(=O)(=O)c1ncc(CN2CCC[C@H](c3ccccc3)C2)n1Cc1ccccc1F
InChIInChI=1S/C23H26FN3O2S/c1-30(28,29)23-25-14-21(27(23)16-20-10-5-6-12-22(20)24)17-26-13-7-11-19(15-26)18-8-3-2-4-9-18/h2-6,8-10,12,14,19H,7,11,13,15-17H2,1H3/t19-/m0/s1
InChIKeyGETALRFPEDVHNQ-IBGZPJMESA-N
XLogP3.85
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-2-methylpiperidine
CID 45187579
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CID 110106730
4-(2-fluorophenoxy)-1-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperidine
CID 42512908
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine
CID 110096175
azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 756318
3-[1-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]propan-1-ol
CID 45207605
1-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidine
CID 45215287
1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
CID 63846661
(3R)-1-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-3-methylpiperidine
CID 42098539
4-[1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]pyridine
CID 25284688
1-[(2-fluorophenyl)methyl]-3-methoxypiperidine
CID 136523280
5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methylpropyl)-2-methylsulfonylimidazole
CID 25285275

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-3-phenylpiperidine?
The IUPAC name of (3R)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-3-phenylpiperidine (CID 25287322) is (3R)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-3-phenylpiperidine.
What is the SMILES notation for (3R)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-3-phenylpiperidine?
The canonical SMILES for (3R)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-3-phenylpiperidine is CS(=O)(=O)c1ncc(CN2CCC[C@H](c3ccccc3)C2)n1Cc1ccccc1F.
What is the InChIKey of (3R)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-3-phenylpiperidine?
The InChIKey is GETALRFPEDVHNQ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26FN3O2S/c1-30(28,29)23-25-14-21(27(23)16-20-10-5-6-12-22(20)24)17-26-13-7-11-19(15-26)18-8-3-2-4-9-18/h2-6,8-10,12,14,19H,7,11,13,15-17H2,1H3/t19-/m0/s1.
What are the key properties of (3R)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-3-phenylpiperidine?
(3R)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-3-phenylpiperidine has a molecular weight of 427.55 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[3-[(2-fluorophenyl)methyl]-2-methylsulfonylimidazol-4-yl]methyl]-3-phenylpiperidine is sourced from PubChem (CID 25287322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).