2-cyclopropyl-5-methyl-1-(thiophen-3-ylmethyl)piperazine

C13H20N2S — CID 64846089

IUPAC2-cyclopropyl-5-methyl-1-(thiophen-3-ylmethyl)piperazine
SMILESCC1CN(Cc2ccsc2)C(C2CC2)CN1
InChIInChI=1S/C13H20N2S/c1-10-7-15(8-11-4-5-16-9-11)13(6-14-10)12-2-3-12/h4-5,9-10,12-14H,2-3,6-8H2,1H3
InChIKeyWZJJJTWGPCEOLM-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.32
Rot. Bonds3

About 2-cyclopropyl-5-methyl-1-(thiophen-3-ylmethyl)piperazine

2-cyclopropyl-5-methyl-1-(thiophen-3-ylmethyl)piperazine (PubChem CID 64846089) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-1-(thiophen-3-ylmethyl)piperazine.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-1-(thiophen-3-ylmethyl)piperazine
PubChem CID64846089
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name2-cyclopropyl-5-methyl-1-(thiophen-3-ylmethyl)piperazine
SMILESCC1CN(Cc2ccsc2)C(C2CC2)CN1
InChIInChI=1S/C13H20N2S/c1-10-7-15(8-11-4-5-16-9-11)13(6-14-10)12-2-3-12/h4-5,9-10,12-14H,2-3,6-8H2,1H3
InChIKeyWZJJJTWGPCEOLM-UHFFFAOYSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-1-(thiophen-3-ylmethyl)piperazine?
The IUPAC name of 2-cyclopropyl-5-methyl-1-(thiophen-3-ylmethyl)piperazine (CID 64846089) is 2-cyclopropyl-5-methyl-1-(thiophen-3-ylmethyl)piperazine.
What is the SMILES notation for 2-cyclopropyl-5-methyl-1-(thiophen-3-ylmethyl)piperazine?
The canonical SMILES for 2-cyclopropyl-5-methyl-1-(thiophen-3-ylmethyl)piperazine is CC1CN(Cc2ccsc2)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-5-methyl-1-(thiophen-3-ylmethyl)piperazine?
The InChIKey is WZJJJTWGPCEOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-10-7-15(8-11-4-5-16-9-11)13(6-14-10)12-2-3-12/h4-5,9-10,12-14H,2-3,6-8H2,1H3.
What are the key properties of 2-cyclopropyl-5-methyl-1-(thiophen-3-ylmethyl)piperazine?
2-cyclopropyl-5-methyl-1-(thiophen-3-ylmethyl)piperazine has a molecular weight of 236.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-1-(thiophen-3-ylmethyl)piperazine is sourced from PubChem (CID 64846089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).