2,2-diethyl-5-methyl-1-(thiophen-2-ylmethyl)piperazine

C14H24N2S — CID 64845724

IUPAC2,2-diethyl-5-methyl-1-(thiophen-2-ylmethyl)piperazine
SMILESCCC1(CC)CNC(C)CN1Cc1cccs1
InChIInChI=1S/C14H24N2S/c1-4-14(5-2)11-15-12(3)9-16(14)10-13-7-6-8-17-13/h6-8,12,15H,4-5,9-11H2,1-3H3
InChIKeyBFDWBWIZMDNFFI-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.10
Rot. Bonds4

About 2,2-diethyl-5-methyl-1-(thiophen-2-ylmethyl)piperazine

2,2-diethyl-5-methyl-1-(thiophen-2-ylmethyl)piperazine (PubChem CID 64845724) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2,2-diethyl-5-methyl-1-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name2,2-diethyl-5-methyl-1-(thiophen-2-ylmethyl)piperazine
PubChem CID64845724
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2,2-diethyl-5-methyl-1-(thiophen-2-ylmethyl)piperazine
SMILESCCC1(CC)CNC(C)CN1Cc1cccs1
InChIInChI=1S/C14H24N2S/c1-4-14(5-2)11-15-12(3)9-16(14)10-13-7-6-8-17-13/h6-8,12,15H,4-5,9-11H2,1-3H3
InChIKeyBFDWBWIZMDNFFI-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,5-triethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64841398
2,2,5-trimethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64845507
2-ethyl-2-methyl-1-(thiophen-2-ylmethyl)piperazine
CID 64846789
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
8-tert-butyl-6-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64843223
3-methyl-1-(thiophen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79907091
5-[(2,2-diethyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644850
2-cyclopropyl-2,5,5-trimethyl-1-(thiophen-2-ylmethyl)piperazine
CID 64840931
2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine
CID 64846119
1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2-diethylpiperazine
CID 64861306
2-cyclopropyl-2-methyl-1-(thiophen-2-ylmethyl)piperazine
CID 64845627

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-5-methyl-1-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 2,2-diethyl-5-methyl-1-(thiophen-2-ylmethyl)piperazine (CID 64845724) is 2,2-diethyl-5-methyl-1-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 2,2-diethyl-5-methyl-1-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 2,2-diethyl-5-methyl-1-(thiophen-2-ylmethyl)piperazine is CCC1(CC)CNC(C)CN1Cc1cccs1.
What is the InChIKey of 2,2-diethyl-5-methyl-1-(thiophen-2-ylmethyl)piperazine?
The InChIKey is BFDWBWIZMDNFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-14(5-2)11-15-12(3)9-16(14)10-13-7-6-8-17-13/h6-8,12,15H,4-5,9-11H2,1-3H3.
What are the key properties of 2,2-diethyl-5-methyl-1-(thiophen-2-ylmethyl)piperazine?
2,2-diethyl-5-methyl-1-(thiophen-2-ylmethyl)piperazine has a molecular weight of 252.43 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-5-methyl-1-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 64845724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).