1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol

C16H23FN2O3S — CID 71783521

IUPAC1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C16H23FN2O3S/c17-15-5-1-13(2-6-15)12-23(21,22)19-9-7-18(8-10-19)11-16(20)14-3-4-14/h1-2,5-6,14,16,20H,3-4,7-12H2
InChIKeyZXRKPKKBENSVNC-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.04
Rot. Bonds6

About 1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol

1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol (PubChem CID 71783521) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol
PubChem CID71783521
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC Name1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C16H23FN2O3S/c17-15-5-1-13(2-6-15)12-23(21,22)19-9-7-18(8-10-19)11-16(20)14-3-4-14/h1-2,5-6,14,16,20H,3-4,7-12H2
InChIKeyZXRKPKKBENSVNC-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[(4-Fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]ethanol
CID 51360635
1-Cyclopropyl-2-(4-((2-fluorophenyl)sulfonyl)piperazin-1-yl)ethanol
CID 71783511
2-(4-Benzylsulfonylpiperazin-1-yl)ethanol
CID 669292
(R)-1-cyclopropyl-2-[4-(2,5-xylylsulfonyl)-1-piperazinyl]-1-ethanol
CID 97039254
1-Cyclopropyl-2-(4-((2,4-difluorophenyl)sulfonyl)piperazin-1-yl)ethanol
CID 71783504
1-Cyclopropyl-2-(4-((2,6-difluorophenyl)sulfonyl)piperazin-1-yl)ethanol
CID 71783516
1-Cyclopropyl-2-(4-((3,5-difluorophenyl)sulfonyl)piperazin-1-yl)ethanol
CID 71783523
2-Methyl-2-[4-(2-phenylethylsulfonyl)piperazin-1-yl]propan-1-ol
CID 75443913
(3R,4R)-4-[(dimethylamino)methyl]-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 164638539
2-[4-[(4-Fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol
CID 43394677
1-[(4-Fluorophenyl)methylsulfonyl]piperidin-4-ol
CID 43502786
1-[(4-Fluorophenyl)methanesulfonyl]piperidin-3-ol
CID 43502930

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol?
The IUPAC name of 1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol (CID 71783521) is 1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol is O=S(=O)(Cc1ccc(F)cc1)N1CCN(CC(O)C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol?
The InChIKey is ZXRKPKKBENSVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c17-15-5-1-13(2-6-15)12-23(21,22)19-9-7-18(8-10-19)11-16(20)14-3-4-14/h1-2,5-6,14,16,20H,3-4,7-12H2.
What are the key properties of 1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol?
1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol has a molecular weight of 342.44 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 71783521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).