3-methyl-1-(2-methylsulfanylethyl)-3-phenylpiperazine

C14H22N2S — CID 64954623

IUPAC3-methyl-1-(2-methylsulfanylethyl)-3-phenylpiperazine
SMILESCSCCN1CCNC(C)(c2ccccc2)C1
InChIInChI=1S/C14H22N2S/c1-14(13-6-4-3-5-7-13)12-16(9-8-15-14)10-11-17-2/h3-7,15H,8-12H2,1-2H3
InChIKeyHSFQAKZFUYCGCY-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.17
Rot. Bonds4

About 3-methyl-1-(2-methylsulfanylethyl)-3-phenylpiperazine

3-methyl-1-(2-methylsulfanylethyl)-3-phenylpiperazine (PubChem CID 64954623) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 3-methyl-1-(2-methylsulfanylethyl)-3-phenylpiperazine.

Molecular Properties

Compound Name3-methyl-1-(2-methylsulfanylethyl)-3-phenylpiperazine
PubChem CID64954623
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name3-methyl-1-(2-methylsulfanylethyl)-3-phenylpiperazine
SMILESCSCCN1CCNC(C)(c2ccccc2)C1
InChIInChI=1S/C14H22N2S/c1-14(13-6-4-3-5-7-13)12-16(9-8-15-14)10-11-17-2/h3-7,15H,8-12H2,1-2H3
InChIKeyHSFQAKZFUYCGCY-UHFFFAOYSA-N
XLogP2.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylsulfanylethyl)-3-phenylpiperazine?
The IUPAC name of 3-methyl-1-(2-methylsulfanylethyl)-3-phenylpiperazine (CID 64954623) is 3-methyl-1-(2-methylsulfanylethyl)-3-phenylpiperazine.
What is the SMILES notation for 3-methyl-1-(2-methylsulfanylethyl)-3-phenylpiperazine?
The canonical SMILES for 3-methyl-1-(2-methylsulfanylethyl)-3-phenylpiperazine is CSCCN1CCNC(C)(c2ccccc2)C1.
What is the InChIKey of 3-methyl-1-(2-methylsulfanylethyl)-3-phenylpiperazine?
The InChIKey is HSFQAKZFUYCGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-14(13-6-4-3-5-7-13)12-16(9-8-15-14)10-11-17-2/h3-7,15H,8-12H2,1-2H3.
What are the key properties of 3-methyl-1-(2-methylsulfanylethyl)-3-phenylpiperazine?
3-methyl-1-(2-methylsulfanylethyl)-3-phenylpiperazine has a molecular weight of 250.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylsulfanylethyl)-3-phenylpiperazine is sourced from PubChem (CID 64954623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).