(1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol

C17H23N3O3S — CID 133395796

IUPAC(1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol
SMILESCn1ccnc1C(O)C1CCN(c2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C17H23N3O3S/c1-19-12-9-18-17(19)16(21)13-7-10-20(11-8-13)14-5-3-4-6-15(14)24(2,22)23/h3-6,9,12-13,16,21H,7-8,10-11H2,1-2H3
InChIKeyTWKUQGFTOWFBAI-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.77
Rot. Bonds4

About (1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol

(1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol (PubChem CID 133395796) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol
PubChem CID133395796
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol
SMILESCn1ccnc1C(O)C1CCN(c2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C17H23N3O3S/c1-19-12-9-18-17(19)16(21)13-7-10-20(11-8-13)14-5-3-4-6-15(14)24(2,22)23/h3-6,9,12-13,16,21H,7-8,10-11H2,1-2H3
InChIKeyTWKUQGFTOWFBAI-UHFFFAOYSA-N
XLogP1.77
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol?
The IUPAC name of (1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol (CID 133395796) is (1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol is Cn1ccnc1C(O)C1CCN(c2ccccc2S(C)(=O)=O)CC1.
What is the InChIKey of (1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol?
The InChIKey is TWKUQGFTOWFBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-19-12-9-18-17(19)16(21)13-7-10-20(11-8-13)14-5-3-4-6-15(14)24(2,22)23/h3-6,9,12-13,16,21H,7-8,10-11H2,1-2H3.
What are the key properties of (1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol?
(1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol has a molecular weight of 349.46 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol is sourced from PubChem (CID 133395796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).