1-[2-(2-fluorophenyl)sulfanylethyl]-4-(pyridin-2-ylmethyl)piperazine

C18H22FN3S — CID 134055256

IUPAC1-[2-(2-fluorophenyl)sulfanylethyl]-4-(pyridin-2-ylmethyl)piperazine
SMILESFc1ccccc1SCCN1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C18H22FN3S/c19-17-6-1-2-7-18(17)23-14-13-21-9-11-22(12-10-21)15-16-5-3-4-8-20-16/h1-8H,9-15H2
InChIKeyWRHMXHYUARGIHO-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.13
Rot. Bonds6

About 1-[2-(2-fluorophenyl)sulfanylethyl]-4-(pyridin-2-ylmethyl)piperazine

1-[2-(2-fluorophenyl)sulfanylethyl]-4-(pyridin-2-ylmethyl)piperazine (PubChem CID 134055256) has the molecular formula C18H22FN3S and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)sulfanylethyl]-4-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)sulfanylethyl]-4-(pyridin-2-ylmethyl)piperazine
PubChem CID134055256
Molecular FormulaC18H22FN3S
Molecular Weight331.46 g/mol
Exact Mass331.15
IUPAC Name1-[2-(2-fluorophenyl)sulfanylethyl]-4-(pyridin-2-ylmethyl)piperazine
SMILESFc1ccccc1SCCN1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C18H22FN3S/c19-17-6-1-2-7-18(17)23-14-13-21-9-11-22(12-10-21)15-16-5-3-4-8-20-16/h1-8H,9-15H2
InChIKeyWRHMXHYUARGIHO-UHFFFAOYSA-N
XLogP3.13
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-chlorophenyl)sulfanylpropyl]-4-(pyridin-2-ylmethyl)piperazine
CID 56509108
1-[4,4-bis(4-fluorophenyl)butyl]-4-(pyridin-2-ylmethyl)piperazine
CID 25164681
1-[(2-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine;oxalic acid
CID 2926624
1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 171700809
(3R,4S)-1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidine-3,4-diol
CID 79420540
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol
CID 141230440
[4-[2-(2-fluorophenyl)sulfanylethyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 78848999
1-(2-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
CID 66051531
3-(pyridin-2-ylmethyl)-9-(2-pyrrolidin-1-ylethyl)-3,9-diazaspiro[5.5]undecane
CID 97450332
2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 47005105
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)sulfanylethyl]-4-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 1-[2-(2-fluorophenyl)sulfanylethyl]-4-(pyridin-2-ylmethyl)piperazine (CID 134055256) is 1-[2-(2-fluorophenyl)sulfanylethyl]-4-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)sulfanylethyl]-4-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 1-[2-(2-fluorophenyl)sulfanylethyl]-4-(pyridin-2-ylmethyl)piperazine is Fc1ccccc1SCCN1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-[2-(2-fluorophenyl)sulfanylethyl]-4-(pyridin-2-ylmethyl)piperazine?
The InChIKey is WRHMXHYUARGIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3S/c19-17-6-1-2-7-18(17)23-14-13-21-9-11-22(12-10-21)15-16-5-3-4-8-20-16/h1-8H,9-15H2.
What are the key properties of 1-[2-(2-fluorophenyl)sulfanylethyl]-4-(pyridin-2-ylmethyl)piperazine?
1-[2-(2-fluorophenyl)sulfanylethyl]-4-(pyridin-2-ylmethyl)piperazine has a molecular weight of 331.46 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)sulfanylethyl]-4-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 134055256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).