1-(2-thiophen-2-ylethyl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine

C16H25F3N4S — CID 111822485

IUPAC1-(2-thiophen-2-ylethyl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
SMILESN/C(=N\CCC1CCN(CC(F)(F)F)CC1)NCCc1cccs1
InChIInChI=1S/C16H25F3N4S/c17-16(18,19)12-23-9-5-13(6-10-23)3-7-21-15(20)22-8-4-14-2-1-11-24-14/h1-2,11,13H,3-10,12H2,(H3,20,21,22)
InChIKeyMVOVPURYSIITMD-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.86
Rot. Bonds7

About 1-(2-thiophen-2-ylethyl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine

1-(2-thiophen-2-ylethyl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine (PubChem CID 111822485) has the molecular formula C16H25F3N4S and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-(2-thiophen-2-ylethyl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine.

Molecular Properties

Compound Name1-(2-thiophen-2-ylethyl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
PubChem CID111822485
Molecular FormulaC16H25F3N4S
Molecular Weight362.47 g/mol
Exact Mass362.18
IUPAC Name1-(2-thiophen-2-ylethyl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
SMILESN/C(=N\CCC1CCN(CC(F)(F)F)CC1)NCCc1cccs1
InChIInChI=1S/C16H25F3N4S/c17-16(18,19)12-23-9-5-13(6-10-23)3-7-21-15(20)22-8-4-14-2-1-11-24-14/h1-2,11,13H,3-10,12H2,(H3,20,21,22)
InChIKeyMVOVPURYSIITMD-UHFFFAOYSA-N
XLogP2.86
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111752633
1-ethyl-3-(2-thiophen-2-ylethyl)-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111348990
2-[4-(4-methylpiperazin-1-yl)butyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111060171
1-(2-thiophen-2-ylethyl)-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide
CID 111084350
2-(thiolan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine
CID 119161102
N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752382
1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 110932610
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111078803
2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111023091
1-prop-2-enyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 136921209
2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111023170
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111096493

Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-2-ylethyl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine?
The IUPAC name of 1-(2-thiophen-2-ylethyl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine (CID 111822485) is 1-(2-thiophen-2-ylethyl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine.
What is the SMILES notation for 1-(2-thiophen-2-ylethyl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine?
The canonical SMILES for 1-(2-thiophen-2-ylethyl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine is N/C(=N\CCC1CCN(CC(F)(F)F)CC1)NCCc1cccs1.
What is the InChIKey of 1-(2-thiophen-2-ylethyl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine?
The InChIKey is MVOVPURYSIITMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4S/c17-16(18,19)12-23-9-5-13(6-10-23)3-7-21-15(20)22-8-4-14-2-1-11-24-14/h1-2,11,13H,3-10,12H2,(H3,20,21,22).
What are the key properties of 1-(2-thiophen-2-ylethyl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine?
1-(2-thiophen-2-ylethyl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine has a molecular weight of 362.47 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-2-ylethyl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine is sourced from PubChem (CID 111822485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).