1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperazine

C19H24N2OS — CID 3960727

IUPAC1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperazine
SMILESCOc1ccc(C(c2ccc(SC)cc2)N2CCNCC2)cc1
InChIInChI=1S/C19H24N2OS/c1-22-17-7-3-15(4-8-17)19(21-13-11-20-12-14-21)16-5-9-18(23-2)10-6-16/h3-10,19-20H,11-14H2,1-2H3
InChIKeyAWZFOJWHDJHPIZ-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.41
Rot. Bonds5

About 1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperazine

1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperazine (PubChem CID 3960727) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperazine
PubChem CID3960727
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperazine
SMILESCOc1ccc(C(c2ccc(SC)cc2)N2CCNCC2)cc1
InChIInChI=1S/C19H24N2OS/c1-22-17-7-3-15(4-8-17)19(21-13-11-20-12-14-21)16-5-9-18(23-2)10-6-16/h3-10,19-20H,11-14H2,1-2H3
InChIKeyAWZFOJWHDJHPIZ-UHFFFAOYSA-N
XLogP3.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane
CID 4585079
1-[(S)-(4-methylsulfanylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171281961
1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine
CID 3987731
1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
CID 7047760
1-[(4-methylsulfanylphenyl)-naphthalen-2-ylmethyl]piperazine
CID 3348475
1-[(3,5-dimethylphenyl)-(4-methylsulfanylphenyl)methyl]piperazine
CID 4043380
1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3766847
1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane
CID 3838263
1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]-1,4-diazepane
CID 3808845
1-[(3,5-dimethylphenyl)-(4-methoxyphenyl)methyl]-1,4-diazepane
CID 3798790
1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
CID 7047764
1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763712

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperazine (CID 3960727) is 1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperazine is COc1ccc(C(c2ccc(SC)cc2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperazine?
The InChIKey is AWZFOJWHDJHPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-22-17-7-3-15(4-8-17)19(21-13-11-20-12-14-21)16-5-9-18(23-2)10-6-16/h3-10,19-20H,11-14H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperazine?
1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperazine has a molecular weight of 328.48 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperazine is sourced from PubChem (CID 3960727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).