(1-butylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanol

C16H24FNO3S — CID 56794313

IUPAC(1-butylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanol
SMILESCCCCS(=O)(=O)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H24FNO3S/c1-2-3-12-22(20,21)18-10-8-14(9-11-18)16(19)13-4-6-15(17)7-5-13/h4-7,14,16,19H,2-3,8-12H2,1H3
InChIKeyXQTHVISOGZKODQ-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.70
Rot. Bonds6

About (1-butylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanol

(1-butylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanol (PubChem CID 56794313) has the molecular formula C16H24FNO3S and a molecular weight of 329.44 g/mol. Its IUPAC name is (1-butylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(1-butylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanol
PubChem CID56794313
Molecular FormulaC16H24FNO3S
Molecular Weight329.44 g/mol
Exact Mass329.15
IUPAC Name(1-butylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanol
SMILESCCCCS(=O)(=O)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H24FNO3S/c1-2-3-12-22(20,21)18-10-8-14(9-11-18)16(19)13-4-6-15(17)7-5-13/h4-7,14,16,19H,2-3,8-12H2,1H3
InChIKeyXQTHVISOGZKODQ-UHFFFAOYSA-N
XLogP2.70
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-butylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanol?
The IUPAC name of (1-butylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanol (CID 56794313) is (1-butylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanol.
What is the SMILES notation for (1-butylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanol?
The canonical SMILES for (1-butylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanol is CCCCS(=O)(=O)N1CCC(C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of (1-butylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanol?
The InChIKey is XQTHVISOGZKODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3S/c1-2-3-12-22(20,21)18-10-8-14(9-11-18)16(19)13-4-6-15(17)7-5-13/h4-7,14,16,19H,2-3,8-12H2,1H3.
What are the key properties of (1-butylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanol?
(1-butylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanol has a molecular weight of 329.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylsulfonylpiperidin-4-yl)-(4-fluorophenyl)methanol is sourced from PubChem (CID 56794313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).