5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine

C18H32N2S — CID 64849403

IUPAC5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine
SMILESCCC(C)C1CN(CCc2cccs2)C(C(C)(C)C)CN1
InChIInChI=1S/C18H32N2S/c1-6-14(2)16-13-20(10-9-15-8-7-11-21-15)17(12-19-16)18(3,4)5/h7-8,11,14,16-17,19H,6,9-10,12-13H2,1-5H3
InChIKeyRNVGFSDEVCQNMN-UHFFFAOYSA-N
MW308.53 g/mol
LogP4.03
Rot. Bonds5

About 5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine

5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine (PubChem CID 64849403) has the molecular formula C18H32N2S and a molecular weight of 308.53 g/mol. Its IUPAC name is 5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine
PubChem CID64849403
Molecular FormulaC18H32N2S
Molecular Weight308.53 g/mol
Exact Mass308.23
IUPAC Name5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine
SMILESCCC(C)C1CN(CCc2cccs2)C(C(C)(C)C)CN1
InChIInChI=1S/C18H32N2S/c1-6-14(2)16-13-20(10-9-15-8-7-11-21-15)17(12-19-16)18(3,4)5/h7-8,11,14,16-17,19H,6,9-10,12-13H2,1-5H3
InChIKeyRNVGFSDEVCQNMN-UHFFFAOYSA-N
XLogP4.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-2-cyclopropyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64848434
2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64844009
5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64847087
2-butan-2-yl-5-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine
CID 64849704
2-[(5-butan-2-yl-2-tert-butylpiperazin-1-yl)methyl]pyrimidine
CID 64849982
5-butan-2-yl-2-tert-butyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518965
5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine
CID 106458682
5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine
CID 65177639
8-tert-butyl-9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64878537
5-butan-2-yl-2-tert-butyl-1-(cyclobutylmethyl)piperazine
CID 65462273
3-butan-2-yl-1-(1-thiophen-2-ylpropan-2-yl)piperazine
CID 64954403
1-[2-(5-bromothiophen-2-yl)ethyl]-5-butan-2-yl-2-ethylpiperazine
CID 106043969

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine (CID 64849403) is 5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine is CCC(C)C1CN(CCc2cccs2)C(C(C)(C)C)CN1.
What is the InChIKey of 5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine?
The InChIKey is RNVGFSDEVCQNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-6-14(2)16-13-20(10-9-15-8-7-11-21-15)17(12-19-16)18(3,4)5/h7-8,11,14,16-17,19H,6,9-10,12-13H2,1-5H3.
What are the key properties of 5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine?
5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine has a molecular weight of 308.53 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine is sourced from PubChem (CID 64849403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).