5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)piperazine

C16H26N2S — CID 64876360

IUPAC5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)piperazine
SMILESCCC1(C)CNC(C)(C2CC2)CN1Cc1cccs1
InChIInChI=1S/C16H26N2S/c1-4-15(2)11-17-16(3,13-7-8-13)12-18(15)10-14-6-5-9-19-14/h5-6,9,13,17H,4,7-8,10-12H2,1-3H3
InChIKeyLVMBOZCQCRVZHY-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.49
Rot. Bonds4

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

5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)piperazine (PubChem CID 64876360) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)piperazine
PubChem CID64876360
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)piperazine
SMILESCCC1(C)CNC(C)(C2CC2)CN1Cc1cccs1
InChIInChI=1S/C16H26N2S/c1-4-15(2)11-17-16(3,13-7-8-13)12-18(15)10-14-6-5-9-19-14/h5-6,9,13,17H,4,7-8,10-12H2,1-3H3
InChIKeyLVMBOZCQCRVZHY-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64878294
5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64878482
1-[(4-bromophenyl)methyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
CID 64875981
2-cyclopropyl-2,5,5-trimethyl-1-(thiophen-2-ylmethyl)piperazine
CID 64840931
8-cyclopropyl-8-methyl-6-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64861176
2-ethyl-2-methyl-1-(thiophen-2-ylmethyl)piperazine
CID 64846789
2-cyclopropyl-2-methyl-1-(thiophen-2-ylmethyl)piperazine
CID 64845627
5-cyclopropyl-1-(3,3-dimethylbutyl)-2-ethyl-2,5-dimethylpiperazine
CID 64876359
1-[(E)-but-2-enyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
CID 107898082
2,2-diethyl-5-methyl-1-(thiophen-2-ylmethyl)piperazine
CID 64845724
8,8-dimethyl-6-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64842668
1-[(3-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine
CID 64878274

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)piperazine (CID 64876360) is 5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)piperazine is CCC1(C)CNC(C)(C2CC2)CN1Cc1cccs1.
What is the InChIKey of 5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)piperazine?
The InChIKey is LVMBOZCQCRVZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-4-15(2)11-17-16(3,13-7-8-13)12-18(15)10-14-6-5-9-19-14/h5-6,9,13,17H,4,7-8,10-12H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)piperazine?
5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)piperazine has a molecular weight of 278.46 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 64876360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).