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

C17H22N2S — CID 64840285

IUPAC5,5-dimethyl-2-phenyl-1-(thiophen-2-ylmethyl)piperazine
SMILESCC1(C)CN(Cc2cccs2)C(c2ccccc2)CN1
InChIInChI=1S/C17H22N2S/c1-17(2)13-19(12-15-9-6-10-20-15)16(11-18-17)14-7-4-3-5-8-14/h3-10,16,18H,11-13H2,1-2H3
InChIKeyRZRPZTJLSMXIFC-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.67
Rot. Bonds3

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

5,5-dimethyl-2-phenyl-1-(thiophen-2-ylmethyl)piperazine (PubChem CID 64840285) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 5,5-dimethyl-2-phenyl-1-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name5,5-dimethyl-2-phenyl-1-(thiophen-2-ylmethyl)piperazine
PubChem CID64840285
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name5,5-dimethyl-2-phenyl-1-(thiophen-2-ylmethyl)piperazine
SMILESCC1(C)CN(Cc2cccs2)C(c2ccccc2)CN1
InChIInChI=1S/C17H22N2S/c1-17(2)13-19(12-15-9-6-10-20-15)16(11-18-17)14-7-4-3-5-8-14/h3-10,16,18H,11-13H2,1-2H3
InChIKeyRZRPZTJLSMXIFC-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-phenyl-1-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 5,5-dimethyl-2-phenyl-1-(thiophen-2-ylmethyl)piperazine (CID 64840285) is 5,5-dimethyl-2-phenyl-1-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 5,5-dimethyl-2-phenyl-1-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 5,5-dimethyl-2-phenyl-1-(thiophen-2-ylmethyl)piperazine is CC1(C)CN(Cc2cccs2)C(c2ccccc2)CN1.
What is the InChIKey of 5,5-dimethyl-2-phenyl-1-(thiophen-2-ylmethyl)piperazine?
The InChIKey is RZRPZTJLSMXIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-17(2)13-19(12-15-9-6-10-20-15)16(11-18-17)14-7-4-3-5-8-14/h3-10,16,18H,11-13H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-phenyl-1-(thiophen-2-ylmethyl)piperazine?
5,5-dimethyl-2-phenyl-1-(thiophen-2-ylmethyl)piperazine has a molecular weight of 286.44 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-phenyl-1-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 64840285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).