4-(2-pyrazol-1-ylethyl)-1-(thiophen-3-ylmethyl)piperidine

C15H21N3S — CID 50985463

IUPAC4-(2-pyrazol-1-ylethyl)-1-(thiophen-3-ylmethyl)piperidine
SMILESc1cnn(CCC2CCN(Cc3ccsc3)CC2)c1
InChIInChI=1S/C15H21N3S/c1-6-16-18(7-1)10-4-14-2-8-17(9-3-14)12-15-5-11-19-13-15/h1,5-7,11,13-14H,2-4,8-10,12H2
InChIKeyJIKHIAJYXCPXSD-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.25
Rot. Bonds5

About 4-(2-pyrazol-1-ylethyl)-1-(thiophen-3-ylmethyl)piperidine

4-(2-pyrazol-1-ylethyl)-1-(thiophen-3-ylmethyl)piperidine (PubChem CID 50985463) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 4-(2-pyrazol-1-ylethyl)-1-(thiophen-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(2-pyrazol-1-ylethyl)-1-(thiophen-3-ylmethyl)piperidine
PubChem CID50985463
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name4-(2-pyrazol-1-ylethyl)-1-(thiophen-3-ylmethyl)piperidine
SMILESc1cnn(CCC2CCN(Cc3ccsc3)CC2)c1
InChIInChI=1S/C15H21N3S/c1-6-16-18(7-1)10-4-14-2-8-17(9-3-14)12-15-5-11-19-13-15/h1,5-7,11,13-14H,2-4,8-10,12H2
InChIKeyJIKHIAJYXCPXSD-UHFFFAOYSA-N
XLogP3.25
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-pyrazol-1-ylethyl)-1-(thiophen-3-ylmethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrazol-1-ylethyl)-1-(thiophen-3-ylmethyl)piperidine?
The IUPAC name of 4-(2-pyrazol-1-ylethyl)-1-(thiophen-3-ylmethyl)piperidine (CID 50985463) is 4-(2-pyrazol-1-ylethyl)-1-(thiophen-3-ylmethyl)piperidine.
What is the SMILES notation for 4-(2-pyrazol-1-ylethyl)-1-(thiophen-3-ylmethyl)piperidine?
The canonical SMILES for 4-(2-pyrazol-1-ylethyl)-1-(thiophen-3-ylmethyl)piperidine is c1cnn(CCC2CCN(Cc3ccsc3)CC2)c1.
What is the InChIKey of 4-(2-pyrazol-1-ylethyl)-1-(thiophen-3-ylmethyl)piperidine?
The InChIKey is JIKHIAJYXCPXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-6-16-18(7-1)10-4-14-2-8-17(9-3-14)12-15-5-11-19-13-15/h1,5-7,11,13-14H,2-4,8-10,12H2.
What are the key properties of 4-(2-pyrazol-1-ylethyl)-1-(thiophen-3-ylmethyl)piperidine?
4-(2-pyrazol-1-ylethyl)-1-(thiophen-3-ylmethyl)piperidine has a molecular weight of 275.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrazol-1-ylethyl)-1-(thiophen-3-ylmethyl)piperidine is sourced from PubChem (CID 50985463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).