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

C18H24N2S — CID 64862496

IUPAC2,2,5-trimethyl-5-phenyl-1-(thiophen-2-ylmethyl)piperazine
SMILESCC1(c2ccccc2)CN(Cc2cccs2)C(C)(C)CN1
InChIInChI=1S/C18H24N2S/c1-17(2)13-19-18(3,15-8-5-4-6-9-15)14-20(17)12-16-10-7-11-21-16/h4-11,19H,12-14H2,1-3H3
InChIKeyUPKLPHSAFXGALM-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.85
Rot. Bonds3

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

2,2,5-trimethyl-5-phenyl-1-(thiophen-2-ylmethyl)piperazine (PubChem CID 64862496) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 2,2,5-trimethyl-5-phenyl-1-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name2,2,5-trimethyl-5-phenyl-1-(thiophen-2-ylmethyl)piperazine
PubChem CID64862496
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name2,2,5-trimethyl-5-phenyl-1-(thiophen-2-ylmethyl)piperazine
SMILESCC1(c2ccccc2)CN(Cc2cccs2)C(C)(C)CN1
InChIInChI=1S/C18H24N2S/c1-17(2)13-19-18(3,15-8-5-4-6-9-15)14-20(17)12-16-10-7-11-21-16/h4-11,19H,12-14H2,1-3H3
InChIKeyUPKLPHSAFXGALM-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-4-(thiophen-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64875517
3,7-dimethyl-3-phenyl-1-(thiophen-2-ylmethyl)-1,4-diazepane
CID 64870631
1-(cyclobutylmethyl)-2,2,5-trimethyl-5-phenylpiperazine
CID 65462888
2,2,5-trimethyl-1-(4-methylpentyl)-5-phenylpiperazine
CID 83149537
1-(4-methoxybutyl)-2,2,5-trimethyl-5-phenylpiperazine
CID 104650316
8,8-dimethyl-6-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64842668
2-cyclopropyl-2,5,5-trimethyl-1-(thiophen-2-ylmethyl)piperazine
CID 64840931
2,2,5-trimethyl-5-phenyl-1-propan-2-ylpiperazine
CID 64860009
5,5-dimethyl-2-phenyl-1-(thiophen-2-ylmethyl)piperazine
CID 64840285
5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)piperazine
CID 64876360
5-cyclohexyl-2,2-dimethyl-1-(thiophen-2-ylmethyl)piperazine
CID 64861167
2-ethyl-1-(2-methoxyethyl)-2,5-dimethyl-5-phenylpiperazine
CID 64862506

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-5-phenyl-1-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 2,2,5-trimethyl-5-phenyl-1-(thiophen-2-ylmethyl)piperazine (CID 64862496) is 2,2,5-trimethyl-5-phenyl-1-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 2,2,5-trimethyl-5-phenyl-1-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 2,2,5-trimethyl-5-phenyl-1-(thiophen-2-ylmethyl)piperazine is CC1(c2ccccc2)CN(Cc2cccs2)C(C)(C)CN1.
What is the InChIKey of 2,2,5-trimethyl-5-phenyl-1-(thiophen-2-ylmethyl)piperazine?
The InChIKey is UPKLPHSAFXGALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-17(2)13-19-18(3,15-8-5-4-6-9-15)14-20(17)12-16-10-7-11-21-16/h4-11,19H,12-14H2,1-3H3.
What are the key properties of 2,2,5-trimethyl-5-phenyl-1-(thiophen-2-ylmethyl)piperazine?
2,2,5-trimethyl-5-phenyl-1-(thiophen-2-ylmethyl)piperazine has a molecular weight of 300.47 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-5-phenyl-1-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 64862496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).