4-propan-2-yl-1-[1-(1H-pyrazol-4-yl)ethenyl]piperidine

C13H21N3 — CID 139554895

IUPAC4-propan-2-yl-1-[1-(1H-pyrazol-4-yl)ethenyl]piperidine
SMILESC=C(c1cn[nH]c1)N1CCC(C(C)C)CC1
InChIInChI=1S/C13H21N3/c1-10(2)12-4-6-16(7-5-12)11(3)13-8-14-15-9-13/h8-10,12H,3-7H2,1-2H3,(H,14,15)
InChIKeyKRYOLMITDHPDQE-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.75
Rot. Bonds3

About 4-propan-2-yl-1-[1-(1H-pyrazol-4-yl)ethenyl]piperidine

4-propan-2-yl-1-[1-(1H-pyrazol-4-yl)ethenyl]piperidine (PubChem CID 139554895) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-propan-2-yl-1-[1-(1H-pyrazol-4-yl)ethenyl]piperidine.

Molecular Properties

Compound Name4-propan-2-yl-1-[1-(1H-pyrazol-4-yl)ethenyl]piperidine
PubChem CID139554895
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-propan-2-yl-1-[1-(1H-pyrazol-4-yl)ethenyl]piperidine
SMILESC=C(c1cn[nH]c1)N1CCC(C(C)C)CC1
InChIInChI=1S/C13H21N3/c1-10(2)12-4-6-16(7-5-12)11(3)13-8-14-15-9-13/h8-10,12H,3-7H2,1-2H3,(H,14,15)
InChIKeyKRYOLMITDHPDQE-UHFFFAOYSA-N
XLogP2.75
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-propan-2-yl-1-[1-(1H-pyrazol-4-yl)ethenyl]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-propan-2-yl-1-[1-(1H-pyrazol-4-yl)ethenyl]piperidine?
The IUPAC name of 4-propan-2-yl-1-[1-(1H-pyrazol-4-yl)ethenyl]piperidine (CID 139554895) is 4-propan-2-yl-1-[1-(1H-pyrazol-4-yl)ethenyl]piperidine.
What is the SMILES notation for 4-propan-2-yl-1-[1-(1H-pyrazol-4-yl)ethenyl]piperidine?
The canonical SMILES for 4-propan-2-yl-1-[1-(1H-pyrazol-4-yl)ethenyl]piperidine is C=C(c1cn[nH]c1)N1CCC(C(C)C)CC1.
What is the InChIKey of 4-propan-2-yl-1-[1-(1H-pyrazol-4-yl)ethenyl]piperidine?
The InChIKey is KRYOLMITDHPDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10(2)12-4-6-16(7-5-12)11(3)13-8-14-15-9-13/h8-10,12H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 4-propan-2-yl-1-[1-(1H-pyrazol-4-yl)ethenyl]piperidine?
4-propan-2-yl-1-[1-(1H-pyrazol-4-yl)ethenyl]piperidine has a molecular weight of 219.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-[1-(1H-pyrazol-4-yl)ethenyl]piperidine is sourced from PubChem (CID 139554895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).