2-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperidine

C13H17N3S — CID 121211947

IUPAC2-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperidine
SMILESc1cc(-c2ccn(CC3CCCCN3)n2)cs1
InChIInChI=1S/C13H17N3S/c1-2-6-14-12(3-1)9-16-7-4-13(15-16)11-5-8-17-10-11/h4-5,7-8,10,12,14H,1-3,6,9H2
InChIKeyVGDQDMKBEGIUFU-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.75
Rot. Bonds3

About 2-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperidine

2-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperidine (PubChem CID 121211947) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperidine
PubChem CID121211947
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperidine
SMILESc1cc(-c2ccn(CC3CCCCN3)n2)cs1
InChIInChI=1S/C13H17N3S/c1-2-6-14-12(3-1)9-16-7-4-13(15-16)11-5-8-17-10-11/h4-5,7-8,10,12,14H,1-3,6,9H2
InChIKeyVGDQDMKBEGIUFU-UHFFFAOYSA-N
XLogP2.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperidine?
The IUPAC name of 2-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperidine (CID 121211947) is 2-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperidine.
What is the SMILES notation for 2-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperidine?
The canonical SMILES for 2-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperidine is c1cc(-c2ccn(CC3CCCCN3)n2)cs1.
What is the InChIKey of 2-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperidine?
The InChIKey is VGDQDMKBEGIUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-2-6-14-12(3-1)9-16-7-4-13(15-16)11-5-8-17-10-11/h4-5,7-8,10,12,14H,1-3,6,9H2.
What are the key properties of 2-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperidine?
2-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperidine has a molecular weight of 247.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperidine is sourced from PubChem (CID 121211947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).