1-[[5-(1H-imidazol-2-yl)thiophen-2-yl]methyl]piperidine

C13H17N3S — CID 56704615

IUPAC1-[[5-(1H-imidazol-2-yl)thiophen-2-yl]methyl]piperidine
SMILESc1c[nH]c(-c2ccc(CN3CCCCC3)s2)n1
InChIInChI=1S/C13H17N3S/c1-2-8-16(9-3-1)10-11-4-5-12(17-11)13-14-6-7-15-13/h4-7H,1-3,8-10H2,(H,14,15)
InChIKeyHYISDEGWIBQINY-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.12
Rot. Bonds3

About 1-[[5-(1H-imidazol-2-yl)thiophen-2-yl]methyl]piperidine

1-[[5-(1H-imidazol-2-yl)thiophen-2-yl]methyl]piperidine (PubChem CID 56704615) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 1-[[5-(1H-imidazol-2-yl)thiophen-2-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[5-(1H-imidazol-2-yl)thiophen-2-yl]methyl]piperidine
PubChem CID56704615
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name1-[[5-(1H-imidazol-2-yl)thiophen-2-yl]methyl]piperidine
SMILESc1c[nH]c(-c2ccc(CN3CCCCC3)s2)n1
InChIInChI=1S/C13H17N3S/c1-2-8-16(9-3-1)10-11-4-5-12(17-11)13-14-6-7-15-13/h4-7H,1-3,8-10H2,(H,14,15)
InChIKeyHYISDEGWIBQINY-UHFFFAOYSA-N
XLogP3.12
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1H-imidazol-2-yl)thiophen-2-yl]methyl]piperidine?
The IUPAC name of 1-[[5-(1H-imidazol-2-yl)thiophen-2-yl]methyl]piperidine (CID 56704615) is 1-[[5-(1H-imidazol-2-yl)thiophen-2-yl]methyl]piperidine.
What is the SMILES notation for 1-[[5-(1H-imidazol-2-yl)thiophen-2-yl]methyl]piperidine?
The canonical SMILES for 1-[[5-(1H-imidazol-2-yl)thiophen-2-yl]methyl]piperidine is c1c[nH]c(-c2ccc(CN3CCCCC3)s2)n1.
What is the InChIKey of 1-[[5-(1H-imidazol-2-yl)thiophen-2-yl]methyl]piperidine?
The InChIKey is HYISDEGWIBQINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-2-8-16(9-3-1)10-11-4-5-12(17-11)13-14-6-7-15-13/h4-7H,1-3,8-10H2,(H,14,15).
What are the key properties of 1-[[5-(1H-imidazol-2-yl)thiophen-2-yl]methyl]piperidine?
1-[[5-(1H-imidazol-2-yl)thiophen-2-yl]methyl]piperidine has a molecular weight of 247.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1H-imidazol-2-yl)thiophen-2-yl]methyl]piperidine is sourced from PubChem (CID 56704615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).