1-(5-methyl-2-pyridinyl)-4-(2-methylsulfanylethyl)piperazine

C13H21N3S — CID 143774965

IUPAC1-(5-methyl-2-pyridinyl)-4-(2-methylsulfanylethyl)piperazine
SMILESCSCCN1CCN(c2ccc(C)cn2)CC1
InChIInChI=1S/C13H21N3S/c1-12-3-4-13(14-11-12)16-7-5-15(6-8-16)9-10-17-2/h3-4,11H,5-10H2,1-2H3
InChIKeyIYFINCIDGGCRIV-UHFFFAOYSA-N
MW251.40 g/mol
LogP1.88
Rot. Bonds4

About 1-(5-methyl-2-pyridinyl)-4-(2-methylsulfanylethyl)piperazine

1-(5-methyl-2-pyridinyl)-4-(2-methylsulfanylethyl)piperazine (PubChem CID 143774965) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)-4-(2-methylsulfanylethyl)piperazine.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)-4-(2-methylsulfanylethyl)piperazine
PubChem CID143774965
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name1-(5-methyl-2-pyridinyl)-4-(2-methylsulfanylethyl)piperazine
SMILESCSCCN1CCN(c2ccc(C)cn2)CC1
InChIInChI=1S/C13H21N3S/c1-12-3-4-13(14-11-12)16-7-5-15(6-8-16)9-10-17-2/h3-4,11H,5-10H2,1-2H3
InChIKeyIYFINCIDGGCRIV-UHFFFAOYSA-N
XLogP1.88
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 43252517
1-(5-methyl-2-pyridinyl)-4-(2-phenylethyl)piperazine
CID 171337954
CID 59766715
CID 59766715
1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine
CID 171070266
2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 59676617
butane;5-methyl-2-piperidin-1-ylpyridine
CID 170641231
6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine
CID 139415693
7-ethyl-2-methyl-1,4-bis(5-methyl-2-pyridinyl)-1,4,7-triazonane
CID 18459724
ethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine
CID 143863753
2-tert-butyl-7-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane
CID 171576647
3,3-dimethyl-7-(5-methyl-2-pyridinyl)-7-azaspiro[3.5]nonane;ethane
CID 144539338
1-tert-butyl-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine
CID 171429399

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)-4-(2-methylsulfanylethyl)piperazine?
The IUPAC name of 1-(5-methyl-2-pyridinyl)-4-(2-methylsulfanylethyl)piperazine (CID 143774965) is 1-(5-methyl-2-pyridinyl)-4-(2-methylsulfanylethyl)piperazine.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)-4-(2-methylsulfanylethyl)piperazine?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)-4-(2-methylsulfanylethyl)piperazine is CSCCN1CCN(c2ccc(C)cn2)CC1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)-4-(2-methylsulfanylethyl)piperazine?
The InChIKey is IYFINCIDGGCRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-12-3-4-13(14-11-12)16-7-5-15(6-8-16)9-10-17-2/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 1-(5-methyl-2-pyridinyl)-4-(2-methylsulfanylethyl)piperazine?
1-(5-methyl-2-pyridinyl)-4-(2-methylsulfanylethyl)piperazine has a molecular weight of 251.40 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)-4-(2-methylsulfanylethyl)piperazine is sourced from PubChem (CID 143774965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).