1-[(3-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine

C16H20FN3O2S — CID 71781105

IUPAC1-[(3-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine
SMILESO=S(=O)(Cc1cccc(F)c1)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C16H20FN3O2S/c17-16-3-1-2-15(10-16)12-23(21,22)20-7-4-14(5-8-20)11-19-9-6-18-13-19/h1-3,6,9-10,13-14H,4-5,7-8,11-12H2
InChIKeyVYWOSXKAXLNYNX-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.26
Rot. Bonds5

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

1-[(3-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine (PubChem CID 71781105) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine
PubChem CID71781105
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC Name1-[(3-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine
SMILESO=S(=O)(Cc1cccc(F)c1)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C16H20FN3O2S/c17-16-3-1-2-15(10-16)12-23(21,22)20-7-4-14(5-8-20)11-19-9-6-18-13-19/h1-3,6,9-10,13-14H,4-5,7-8,11-12H2
InChIKeyVYWOSXKAXLNYNX-UHFFFAOYSA-N
XLogP2.26
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine?
The IUPAC name of 1-[(3-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine (CID 71781105) is 1-[(3-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-[(3-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-[(3-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine is O=S(=O)(Cc1cccc(F)c1)N1CCC(Cn2ccnc2)CC1.
What is the InChIKey of 1-[(3-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine?
The InChIKey is VYWOSXKAXLNYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c17-16-3-1-2-15(10-16)12-23(21,22)20-7-4-14(5-8-20)11-19-9-6-18-13-19/h1-3,6,9-10,13-14H,4-5,7-8,11-12H2.
What are the key properties of 1-[(3-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine?
1-[(3-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine has a molecular weight of 337.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine is sourced from PubChem (CID 71781105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).