2,5-dimethyl-5-phenyl-1-(thiophen-3-ylmethyl)piperazine

C17H22N2S — CID 64862285

IUPAC2,5-dimethyl-5-phenyl-1-(thiophen-3-ylmethyl)piperazine
SMILESCC1CNC(C)(c2ccccc2)CN1Cc1ccsc1
InChIInChI=1S/C17H22N2S/c1-14-10-18-17(2,16-6-4-3-5-7-16)13-19(14)11-15-8-9-20-12-15/h3-9,12,14,18H,10-11,13H2,1-2H3
InChIKeyASNGOMHQOCIHCL-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.46
Rot. Bonds3

About 2,5-dimethyl-5-phenyl-1-(thiophen-3-ylmethyl)piperazine

2,5-dimethyl-5-phenyl-1-(thiophen-3-ylmethyl)piperazine (PubChem CID 64862285) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2,5-dimethyl-5-phenyl-1-(thiophen-3-ylmethyl)piperazine.

Molecular Properties

Compound Name2,5-dimethyl-5-phenyl-1-(thiophen-3-ylmethyl)piperazine
PubChem CID64862285
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name2,5-dimethyl-5-phenyl-1-(thiophen-3-ylmethyl)piperazine
SMILESCC1CNC(C)(c2ccccc2)CN1Cc1ccsc1
InChIInChI=1S/C17H22N2S/c1-14-10-18-17(2,16-6-4-3-5-7-16)13-19(14)11-15-8-9-20-12-15/h3-9,12,14,18H,10-11,13H2,1-2H3
InChIKeyASNGOMHQOCIHCL-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-5-phenyl-1-(thiophen-3-ylmethyl)piperazine?
The IUPAC name of 2,5-dimethyl-5-phenyl-1-(thiophen-3-ylmethyl)piperazine (CID 64862285) is 2,5-dimethyl-5-phenyl-1-(thiophen-3-ylmethyl)piperazine.
What is the SMILES notation for 2,5-dimethyl-5-phenyl-1-(thiophen-3-ylmethyl)piperazine?
The canonical SMILES for 2,5-dimethyl-5-phenyl-1-(thiophen-3-ylmethyl)piperazine is CC1CNC(C)(c2ccccc2)CN1Cc1ccsc1.
What is the InChIKey of 2,5-dimethyl-5-phenyl-1-(thiophen-3-ylmethyl)piperazine?
The InChIKey is ASNGOMHQOCIHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-14-10-18-17(2,16-6-4-3-5-7-16)13-19(14)11-15-8-9-20-12-15/h3-9,12,14,18H,10-11,13H2,1-2H3.
What are the key properties of 2,5-dimethyl-5-phenyl-1-(thiophen-3-ylmethyl)piperazine?
2,5-dimethyl-5-phenyl-1-(thiophen-3-ylmethyl)piperazine has a molecular weight of 286.44 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-5-phenyl-1-(thiophen-3-ylmethyl)piperazine is sourced from PubChem (CID 64862285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).