1-(thiophen-2-ylmethyl)piperazine

C9H14N2S — CID 566208

IUPAC1-(thiophen-2-ylmethyl)piperazine
SMILESc1csc(CN2CCNCC2)c1
InChIInChI=1S/C9H14N2S/c1-2-9(12-7-1)8-11-5-3-10-4-6-11/h1-2,7,10H,3-6,8H2
InChIKeyXTAPGYLDPZMKRN-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.15
Rot. Bonds2

About 1-(thiophen-2-ylmethyl)piperazine

1-(thiophen-2-ylmethyl)piperazine (PubChem CID 566208) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)piperazine
PubChem CID566208
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name1-(thiophen-2-ylmethyl)piperazine
SMILESc1csc(CN2CCNCC2)c1
InChIInChI=1S/C9H14N2S/c1-2-9(12-7-1)8-11-5-3-10-4-6-11/h1-2,7,10H,3-6,8H2
InChIKeyXTAPGYLDPZMKRN-UHFFFAOYSA-N
XLogP1.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(thiophen-2-ylmethyl)thiomorpholine
CID 792399
3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370579
1-(thiophen-2-ylmethyl)piperidin-4-one
CID 18001837
1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine
CID 139216002
propane;4-(thiophen-2-ylmethyl)morpholine
CID 142296614
(1R,5S)-6-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane
CID 77084994
4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde
CID 60679812
5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60972638
1-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 22748866
1-[(3-thiophen-2-ylfuran-2-yl)methyl]piperazine
CID 82511710
5-(thiophen-2-ylmethyl)-1,3,5-triazinan-2-one
CID 23830026
3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869397

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 1-(thiophen-2-ylmethyl)piperazine (CID 566208) is 1-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 1-(thiophen-2-ylmethyl)piperazine is c1csc(CN2CCNCC2)c1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)piperazine?
The InChIKey is XTAPGYLDPZMKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-2-9(12-7-1)8-11-5-3-10-4-6-11/h1-2,7,10H,3-6,8H2.
What are the key properties of 1-(thiophen-2-ylmethyl)piperazine?
1-(thiophen-2-ylmethyl)piperazine has a molecular weight of 182.29 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 566208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).