[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol

C19H28N4O3S — CID 133384517

IUPAC[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)C1CCCN(c2ccc(S(=O)(=O)C(C)(C)C)nc2)C1
InChIInChI=1S/C19H28N4O3S/c1-19(2,3)27(25,26)16-8-7-15(12-21-16)23-10-5-6-14(13-23)17(24)18-20-9-11-22(18)4/h7-9,11-12,14,17,24H,5-6,10,13H2,1-4H3
InChIKeyFRPKRSVTKZLFKY-UHFFFAOYSA-N
MW392.53 g/mol
LogP2.34
Rot. Bonds4

About [1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol

[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 133384517) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is [1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID133384517
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Name[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)C1CCCN(c2ccc(S(=O)(=O)C(C)(C)C)nc2)C1
InChIInChI=1S/C19H28N4O3S/c1-19(2,3)27(25,26)16-8-7-15(12-21-16)23-10-5-6-14(13-23)17(24)18-20-9-11-22(18)4/h7-9,11-12,14,17,24H,5-6,10,13H2,1-4H3
InChIKeyFRPKRSVTKZLFKY-UHFFFAOYSA-N
XLogP2.34
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol (CID 133384517) is [1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol is Cn1ccnc1C(O)C1CCCN(c2ccc(S(=O)(=O)C(C)(C)C)nc2)C1.
What is the InChIKey of [1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is FRPKRSVTKZLFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-19(2,3)27(25,26)16-8-7-15(12-21-16)23-10-5-6-14(13-23)17(24)18-20-9-11-22(18)4/h7-9,11-12,14,17,24H,5-6,10,13H2,1-4H3.
What are the key properties of [1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol?
[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 392.53 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 133384517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).