1-[(2-methoxy-6-methylsulfanylphenyl)methyl]piperazine

C13H20N2OS — CID 117384519

IUPAC1-[(2-methoxy-6-methylsulfanylphenyl)methyl]piperazine
SMILESCOc1cccc(SC)c1CN1CCNCC1
InChIInChI=1S/C13H20N2OS/c1-16-12-4-3-5-13(17-2)11(12)10-15-8-6-14-7-9-15/h3-5,14H,6-10H2,1-2H3
InChIKeyCIQMWMHXFAINDG-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.82
Rot. Bonds4

About 1-[(2-methoxy-6-methylsulfanylphenyl)methyl]piperazine

1-[(2-methoxy-6-methylsulfanylphenyl)methyl]piperazine (PubChem CID 117384519) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-[(2-methoxy-6-methylsulfanylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-methoxy-6-methylsulfanylphenyl)methyl]piperazine
PubChem CID117384519
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-[(2-methoxy-6-methylsulfanylphenyl)methyl]piperazine
SMILESCOc1cccc(SC)c1CN1CCNCC1
InChIInChI=1S/C13H20N2OS/c1-16-12-4-3-5-13(17-2)11(12)10-15-8-6-14-7-9-15/h3-5,14H,6-10H2,1-2H3
InChIKeyCIQMWMHXFAINDG-UHFFFAOYSA-N
XLogP1.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methoxy-6-propan-2-yloxyphenyl)methyl]piperazine
CID 117415818
1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperazine
CID 117384517
1-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperazine
CID 117454038
1-[(3-methoxy-2-methylphenyl)methyl]piperazine
CID 83707267
1-[(5-fluoro-2-methoxy-3-methylsulfanylphenyl)methyl]piperazine
CID 117429286
1-(2-ethyl-3-methoxyphenyl)piperazine
CID 143239355
1-[(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methyl]piperazine
CID 117374087
1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 82509697
1-[(2S)-2-fluoro-2-(2-methoxyphenyl)ethyl]piperazine
CID 129493112
1-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
2-methoxy-N-[4-(piperazin-1-ylmethyl)phenyl]aniline
CID 174907104
1-[2-[2-(difluoromethyl)-3-methoxyphenyl]ethyl]piperazine
CID 117429080

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-6-methylsulfanylphenyl)methyl]piperazine?
The IUPAC name of 1-[(2-methoxy-6-methylsulfanylphenyl)methyl]piperazine (CID 117384519) is 1-[(2-methoxy-6-methylsulfanylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-methoxy-6-methylsulfanylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-methoxy-6-methylsulfanylphenyl)methyl]piperazine is COc1cccc(SC)c1CN1CCNCC1.
What is the InChIKey of 1-[(2-methoxy-6-methylsulfanylphenyl)methyl]piperazine?
The InChIKey is CIQMWMHXFAINDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-16-12-4-3-5-13(17-2)11(12)10-15-8-6-14-7-9-15/h3-5,14H,6-10H2,1-2H3.
What are the key properties of 1-[(2-methoxy-6-methylsulfanylphenyl)methyl]piperazine?
1-[(2-methoxy-6-methylsulfanylphenyl)methyl]piperazine has a molecular weight of 252.38 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-6-methylsulfanylphenyl)methyl]piperazine is sourced from PubChem (CID 117384519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).