1-(2-cyclopropyl-2,3-dihydrothiophen-4-yl)piperazine

C11H18N2S — CID 54371005

IUPAC1-(2-cyclopropyl-2,3-dihydrothiophen-4-yl)piperazine
SMILESC1=C(N2CCNCC2)CC(C2CC2)S1
InChIInChI=1S/C11H18N2S/c1-2-9(1)11-7-10(8-14-11)13-5-3-12-4-6-13/h8-9,11-12H,1-7H2
InChIKeyUTEVGVLAMHNCBJ-UHFFFAOYSA-N
MW210.35 g/mol
LogP1.65
Rot. Bonds2

About 1-(2-cyclopropyl-2,3-dihydrothiophen-4-yl)piperazine

1-(2-cyclopropyl-2,3-dihydrothiophen-4-yl)piperazine (PubChem CID 54371005) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2,3-dihydrothiophen-4-yl)piperazine.

Molecular Properties

Compound Name1-(2-cyclopropyl-2,3-dihydrothiophen-4-yl)piperazine
PubChem CID54371005
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name1-(2-cyclopropyl-2,3-dihydrothiophen-4-yl)piperazine
SMILESC1=C(N2CCNCC2)CC(C2CC2)S1
InChIInChI=1S/C11H18N2S/c1-2-9(1)11-7-10(8-14-11)13-5-3-12-4-6-13/h8-9,11-12H,1-7H2
InChIKeyUTEVGVLAMHNCBJ-UHFFFAOYSA-N
XLogP1.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2,3-dihydrothiophen-4-yl)piperazine?
The IUPAC name of 1-(2-cyclopropyl-2,3-dihydrothiophen-4-yl)piperazine (CID 54371005) is 1-(2-cyclopropyl-2,3-dihydrothiophen-4-yl)piperazine.
What is the SMILES notation for 1-(2-cyclopropyl-2,3-dihydrothiophen-4-yl)piperazine?
The canonical SMILES for 1-(2-cyclopropyl-2,3-dihydrothiophen-4-yl)piperazine is C1=C(N2CCNCC2)CC(C2CC2)S1.
What is the InChIKey of 1-(2-cyclopropyl-2,3-dihydrothiophen-4-yl)piperazine?
The InChIKey is UTEVGVLAMHNCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-2-9(1)11-7-10(8-14-11)13-5-3-12-4-6-13/h8-9,11-12H,1-7H2.
What are the key properties of 1-(2-cyclopropyl-2,3-dihydrothiophen-4-yl)piperazine?
1-(2-cyclopropyl-2,3-dihydrothiophen-4-yl)piperazine has a molecular weight of 210.35 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2,3-dihydrothiophen-4-yl)piperazine is sourced from PubChem (CID 54371005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).