1-(4-methylsulfanylphenyl)-4-pyridin-2-ylpiperazine

C16H19N3S — CID 171622110

IUPAC1-(4-methylsulfanylphenyl)-4-pyridin-2-ylpiperazine
SMILESCSc1ccc(N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C16H19N3S/c1-20-15-7-5-14(6-8-15)18-10-12-19(13-11-18)16-4-2-3-9-17-16/h2-9H,10-13H2,1H3
InChIKeyQFWXZJVNELBLIO-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.13
Rot. Bonds3

About 1-(4-methylsulfanylphenyl)-4-pyridin-2-ylpiperazine

1-(4-methylsulfanylphenyl)-4-pyridin-2-ylpiperazine (PubChem CID 171622110) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-4-pyridin-2-ylpiperazine
PubChem CID171622110
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name1-(4-methylsulfanylphenyl)-4-pyridin-2-ylpiperazine
SMILESCSc1ccc(N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C16H19N3S/c1-20-15-7-5-14(6-8-15)18-10-12-19(13-11-18)16-4-2-3-9-17-16/h2-9H,10-13H2,1H3
InChIKeyQFWXZJVNELBLIO-UHFFFAOYSA-N
XLogP3.13
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-4-pyridin-2-yl-1,4-diazepane
CID 142175555
1-(6-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 133313241
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
1-methoxy-4-pyridin-2-ylpiperazine
CID 59857720
6-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 110454797
1-methyl-4-pyridin-2-yl-1,4-diazepane
CID 11790022
2-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)aniline
CID 63671263
1-pyridin-2-yl-4-(2,3,4-trifluorophenyl)piperazine
CID 110454799
3-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)aniline
CID 115980573
1-pyridin-2-ylpiperazin-4-ium
CID 3992659

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(4-methylsulfanylphenyl)-4-pyridin-2-ylpiperazine (CID 171622110) is 1-(4-methylsulfanylphenyl)-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-4-pyridin-2-ylpiperazine is CSc1ccc(N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-4-pyridin-2-ylpiperazine?
The InChIKey is QFWXZJVNELBLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-20-15-7-5-14(6-8-15)18-10-12-19(13-11-18)16-4-2-3-9-17-16/h2-9H,10-13H2,1H3.
What are the key properties of 1-(4-methylsulfanylphenyl)-4-pyridin-2-ylpiperazine?
1-(4-methylsulfanylphenyl)-4-pyridin-2-ylpiperazine has a molecular weight of 285.42 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 171622110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).