2-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine

C12H20N2S — CID 64833156

IUPAC2-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine
SMILESCC(C)C1CNCCN1Cc1ccsc1
InChIInChI=1S/C12H20N2S/c1-10(2)12-7-13-4-5-14(12)8-11-3-6-15-9-11/h3,6,9-10,12-13H,4-5,7-8H2,1-2H3
InChIKeyCZCBROJLDLFVOI-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.18
Rot. Bonds3

About 2-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine

2-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine (PubChem CID 64833156) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine.

Molecular Properties

Compound Name2-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine
PubChem CID64833156
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine
SMILESCC(C)C1CNCCN1Cc1ccsc1
InChIInChI=1S/C12H20N2S/c1-10(2)12-7-13-4-5-14(12)8-11-3-6-15-9-11/h3,6,9-10,12-13H,4-5,7-8H2,1-2H3
InChIKeyCZCBROJLDLFVOI-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine?
The IUPAC name of 2-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine (CID 64833156) is 2-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine.
What is the SMILES notation for 2-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine?
The canonical SMILES for 2-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine is CC(C)C1CNCCN1Cc1ccsc1.
What is the InChIKey of 2-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine?
The InChIKey is CZCBROJLDLFVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10(2)12-7-13-4-5-14(12)8-11-3-6-15-9-11/h3,6,9-10,12-13H,4-5,7-8H2,1-2H3.
What are the key properties of 2-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine?
2-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine has a molecular weight of 224.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine is sourced from PubChem (CID 64833156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).