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

C16H23FN2O3S — CID 97039297

IUPAC(1S)-1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCN(C[C@@H](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/t16-/m1/s1
InChIKeyZXRKPKKBENSVNC-MRXNPFEDSA-N
MW342.44 g/mol
LogP1.04
Rot. Bonds6

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

(1S)-1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol (PubChem CID 97039297) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is (1S)-1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol
PubChem CID97039297
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC Name(1S)-1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCN(C[C@@H](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/t16-/m1/s1
InChIKeyZXRKPKKBENSVNC-MRXNPFEDSA-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

(1R)-1-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 97039248
1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol
CID 103834665
(1R)-1-cyclopropyl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 97039300
(1S)-1-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 97039287
1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine
CID 63596216
2-[4-[(4-fluorophenyl)methylsulfonyl]-1,4-diazepan-1-yl]ethanol
CID 63310011
1-[(4-fluorophenyl)methylsulfonyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 110399069
1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine
CID 71782918
N-ethyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]acetamide
CID 37307741
1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine
CID 110868518
N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide
CID 49458586
1-benzylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine
CID 110413693

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol?
The IUPAC name of (1S)-1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol (CID 97039297) is (1S)-1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol?
The canonical SMILES for (1S)-1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol is O=S(=O)(Cc1ccc(F)cc1)N1CCN(C[C@@H](O)C2CC2)CC1.
What is the InChIKey of (1S)-1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol?
The InChIKey is ZXRKPKKBENSVNC-MRXNPFEDSA-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/t16-/m1/s1.
What are the key properties of (1S)-1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol?
(1S)-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 (1S)-1-cyclopropyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 97039297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).