1-[(4-fluorophenyl)methylsulfonyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine

C17H22FN3O2S — CID 71781160

IUPAC1-[(4-fluorophenyl)methylsulfonyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine
SMILESCc1nccn1CC1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FN3O2S/c1-14-19-8-11-20(14)12-15-6-9-21(10-7-15)24(22,23)13-16-2-4-17(18)5-3-16/h2-5,8,11,15H,6-7,9-10,12-13H2,1H3
InChIKeyQUGGGPLMIVQYQK-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.57
Rot. Bonds5

About 1-[(4-fluorophenyl)methylsulfonyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine

1-[(4-fluorophenyl)methylsulfonyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine (PubChem CID 71781160) has the molecular formula C17H22FN3O2S and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylsulfonyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylsulfonyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine
PubChem CID71781160
Molecular FormulaC17H22FN3O2S
Molecular Weight351.45 g/mol
Exact Mass351.14
IUPAC Name1-[(4-fluorophenyl)methylsulfonyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine
SMILESCc1nccn1CC1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FN3O2S/c1-14-19-8-11-20(14)12-15-6-9-21(10-7-15)24(22,23)13-16-2-4-17(18)5-3-16/h2-5,8,11,15H,6-7,9-10,12-13H2,1H3
InChIKeyQUGGGPLMIVQYQK-UHFFFAOYSA-N
XLogP2.57
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine?
The IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine (CID 71781160) is 1-[(4-fluorophenyl)methylsulfonyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine.
What is the SMILES notation for 1-[(4-fluorophenyl)methylsulfonyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine?
The canonical SMILES for 1-[(4-fluorophenyl)methylsulfonyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine is Cc1nccn1CC1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methylsulfonyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine?
The InChIKey is QUGGGPLMIVQYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2S/c1-14-19-8-11-20(14)12-15-6-9-21(10-7-15)24(22,23)13-16-2-4-17(18)5-3-16/h2-5,8,11,15H,6-7,9-10,12-13H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methylsulfonyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine?
1-[(4-fluorophenyl)methylsulfonyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine has a molecular weight of 351.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methylsulfonyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine is sourced from PubChem (CID 71781160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).