(1R)-1-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol

C15H21FN2O3S — CID 97039248

IUPAC(1R)-1-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(C[C@H](O)C2CC2)CC1
InChIInChI=1S/C15H21FN2O3S/c16-13-3-5-14(6-4-13)22(20,21)18-9-7-17(8-10-18)11-15(19)12-1-2-12/h3-6,12,15,19H,1-2,7-11H2/t15-/m0/s1
InChIKeyDGNPUUDQZFVLRD-HNNXBMFYSA-N
MW328.41 g/mol
LogP0.90
Rot. Bonds5

About (1R)-1-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol

(1R)-1-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 97039248) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is (1R)-1-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
PubChem CID97039248
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name(1R)-1-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(C[C@H](O)C2CC2)CC1
InChIInChI=1S/C15H21FN2O3S/c16-13-3-5-14(6-4-13)22(20,21)18-9-7-17(8-10-18)11-15(19)12-1-2-12/h3-6,12,15,19H,1-2,7-11H2/t15-/m0/s1
InChIKeyDGNPUUDQZFVLRD-HNNXBMFYSA-N
XLogP0.90
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-cyclopropyl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 97039300
(1S)-1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol
CID 97039297
(1S)-1-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 97039287
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 78782687
(1S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(furan-2-yl)ethanol
CID 34514470
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 8747656
1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 134018579
N-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 6470268
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanethioamide
CID 63336604
1-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 15997423
(2R)-1-(3-bromophenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 6359094
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2998945

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of (1R)-1-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol (CID 97039248) is (1R)-1-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for (1R)-1-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol is O=S(=O)(c1ccc(F)cc1)N1CCN(C[C@H](O)C2CC2)CC1.
What is the InChIKey of (1R)-1-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is DGNPUUDQZFVLRD-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c16-13-3-5-14(6-4-13)22(20,21)18-9-7-17(8-10-18)11-15(19)12-1-2-12/h3-6,12,15,19H,1-2,7-11H2/t15-/m0/s1.
What are the key properties of (1R)-1-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol?
(1R)-1-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol has a molecular weight of 328.41 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 97039248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).