1-[(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]-2-fluoroethyl]piperazine

C18H20ClFN2S — CID 171182175

IUPAC1-[(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]-2-fluoroethyl]piperazine
SMILESFC[C@H](c1ccccc1Sc1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C18H20ClFN2S/c19-14-5-7-15(8-6-14)23-18-4-2-1-3-16(18)17(13-20)22-11-9-21-10-12-22/h1-8,17,21H,9-13H2/t17-/m1/s1
InChIKeyTYQCIGYFJWVFGY-QGZVFWFLSA-N
MW350.89 g/mol
LogP4.41
Rot. Bonds5

About 1-[(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]-2-fluoroethyl]piperazine

1-[(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]-2-fluoroethyl]piperazine (PubChem CID 171182175) has the molecular formula C18H20ClFN2S and a molecular weight of 350.89 g/mol. Its IUPAC name is 1-[(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]-2-fluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]-2-fluoroethyl]piperazine
PubChem CID171182175
Molecular FormulaC18H20ClFN2S
Molecular Weight350.89 g/mol
Exact Mass350.10
IUPAC Name1-[(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]-2-fluoroethyl]piperazine
SMILESFC[C@H](c1ccccc1Sc1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C18H20ClFN2S/c19-14-5-7-15(8-6-14)23-18-4-2-1-3-16(18)17(13-20)22-11-9-21-10-12-22/h1-8,17,21H,9-13H2/t17-/m1/s1
InChIKeyTYQCIGYFJWVFGY-QGZVFWFLSA-N
XLogP4.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]-3-fluoropropyl]piperazine;hydrochloride
CID 171167494
1-[(1R)-1-[2-(4-chlorophenyl)sulfanylphenyl]butyl]piperazine;dihydrochloride
CID 171296036
1-[(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]butyl]piperazine;dihydrochloride
CID 171283416
1-[(1R)-1-[2-(4-chlorophenyl)sulfanylphenyl]-2,2-dimethylpropyl]piperazine
CID 171296041
1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285841
1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine
CID 131476591
1-[(S)-[2-(4-chlorophenyl)sulfanylphenyl]-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171283412
1-[(1R)-2-fluoro-1-(2-iodophenyl)ethyl]piperazine
CID 131345100
1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171277286
1-[(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine
CID 171181979
1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine
CID 171182462
1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182257

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]-2-fluoroethyl]piperazine?
The IUPAC name of 1-[(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]-2-fluoroethyl]piperazine (CID 171182175) is 1-[(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]-2-fluoroethyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]-2-fluoroethyl]piperazine?
The canonical SMILES for 1-[(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]-2-fluoroethyl]piperazine is FC[C@H](c1ccccc1Sc1ccc(Cl)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]-2-fluoroethyl]piperazine?
The InChIKey is TYQCIGYFJWVFGY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20ClFN2S/c19-14-5-7-15(8-6-14)23-18-4-2-1-3-16(18)17(13-20)22-11-9-21-10-12-22/h1-8,17,21H,9-13H2/t17-/m1/s1.
What are the key properties of 1-[(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]-2-fluoroethyl]piperazine?
1-[(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]-2-fluoroethyl]piperazine has a molecular weight of 350.89 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]-2-fluoroethyl]piperazine is sourced from PubChem (CID 171182175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).