3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]piperidine

C14H19N3S — CID 62358053

IUPAC3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]piperidine
SMILESc1csc(-c2nccn2CCC2CCCNC2)c1
InChIInChI=1S/C14H19N3S/c1-3-12(11-15-6-1)5-8-17-9-7-16-14(17)13-4-2-10-18-13/h2,4,7,9-10,12,15H,1,3,5-6,8,11H2
InChIKeyOVIHPHUTHRMAHA-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.00
Rot. Bonds4

About 3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]piperidine

3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]piperidine (PubChem CID 62358053) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]piperidine
PubChem CID62358053
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]piperidine
SMILESc1csc(-c2nccn2CCC2CCCNC2)c1
InChIInChI=1S/C14H19N3S/c1-3-12(11-15-6-1)5-8-17-9-7-16-14(17)13-4-2-10-18-13/h2,4,7,9-10,12,15H,1,3,5-6,8,11H2
InChIKeyOVIHPHUTHRMAHA-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyrrolidin-3-ylmethyl)-2-thiophen-2-ylimidazole
CID 62371626
1-(cyclobutylmethyl)-2-thiophen-2-ylimidazole
CID 115917906
N-[3-(2-thiophen-2-ylimidazol-1-yl)propyl]cyclohexanamine
CID 62565929
3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
CID 55111148
1-(6-chlorohexyl)-2-thiophen-2-ylimidazole
CID 55053624
4-[(2-thiophen-2-ylimidazol-1-yl)methyl]piperidin-4-ol
CID 81043389
1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole
CID 75432637
1-heptyl-2-thiophen-2-ylimidazole
CID 116621595
6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol
CID 113353810
N-(oxolan-3-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine
CID 62567422
1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole
CID 114476766
1-(4-methylpentyl)-2-thiophen-2-ylimidazole
CID 116621649

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]piperidine?
The IUPAC name of 3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]piperidine (CID 62358053) is 3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]piperidine.
What is the SMILES notation for 3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]piperidine?
The canonical SMILES for 3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]piperidine is c1csc(-c2nccn2CCC2CCCNC2)c1.
What is the InChIKey of 3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]piperidine?
The InChIKey is OVIHPHUTHRMAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-3-12(11-15-6-1)5-8-17-9-7-16-14(17)13-4-2-10-18-13/h2,4,7,9-10,12,15H,1,3,5-6,8,11H2.
What are the key properties of 3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]piperidine?
3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]piperidine has a molecular weight of 261.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]piperidine is sourced from PubChem (CID 62358053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).