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

C13H20N2S — CID 64845627

IUPAC2-cyclopropyl-2-methyl-1-(thiophen-2-ylmethyl)piperazine
SMILESCC1(C2CC2)CNCCN1Cc1cccs1
InChIInChI=1S/C13H20N2S/c1-13(11-4-5-11)10-14-6-7-15(13)9-12-3-2-8-16-12/h2-3,8,11,14H,4-7,9-10H2,1H3
InChIKeyHQUHYNDEFFQGHJ-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.32
Rot. Bonds3

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

2-cyclopropyl-2-methyl-1-(thiophen-2-ylmethyl)piperazine (PubChem CID 64845627) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-1-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-1-(thiophen-2-ylmethyl)piperazine
PubChem CID64845627
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name2-cyclopropyl-2-methyl-1-(thiophen-2-ylmethyl)piperazine
SMILESCC1(C2CC2)CNCCN1Cc1cccs1
InChIInChI=1S/C13H20N2S/c1-13(11-4-5-11)10-14-6-7-15(13)9-12-3-2-8-16-12/h2-3,8,11,14H,4-7,9-10H2,1H3
InChIKeyHQUHYNDEFFQGHJ-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-2-methyl-1-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 2-cyclopropyl-2-methyl-1-(thiophen-2-ylmethyl)piperazine (CID 64845627) is 2-cyclopropyl-2-methyl-1-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 2-cyclopropyl-2-methyl-1-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 2-cyclopropyl-2-methyl-1-(thiophen-2-ylmethyl)piperazine is CC1(C2CC2)CNCCN1Cc1cccs1.
What is the InChIKey of 2-cyclopropyl-2-methyl-1-(thiophen-2-ylmethyl)piperazine?
The InChIKey is HQUHYNDEFFQGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-13(11-4-5-11)10-14-6-7-15(13)9-12-3-2-8-16-12/h2-3,8,11,14H,4-7,9-10H2,1H3.
What are the key properties of 2-cyclopropyl-2-methyl-1-(thiophen-2-ylmethyl)piperazine?
2-cyclopropyl-2-methyl-1-(thiophen-2-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-2-methyl-1-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 64845627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).