4-[4-(4-methyl-1,3-dioxetan-2-yl)pyrazol-1-yl]piperidine

C11H17N3O2 — CID 70903493

IUPAC4-[4-(4-methyl-1,3-dioxetan-2-yl)pyrazol-1-yl]piperidine
SMILESCC1OC(c2cnn(C3CCNCC3)c2)O1
InChIInChI=1S/C11H17N3O2/c1-8-15-11(16-8)9-6-13-14(7-9)10-2-4-12-5-3-10/h6-8,10-12H,2-5H2,1H3
InChIKeyOFFSRAUSMPJFEU-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.20
Rot. Bonds2

About 4-[4-(4-methyl-1,3-dioxetan-2-yl)pyrazol-1-yl]piperidine

4-[4-(4-methyl-1,3-dioxetan-2-yl)pyrazol-1-yl]piperidine (PubChem CID 70903493) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[4-(4-methyl-1,3-dioxetan-2-yl)pyrazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[4-(4-methyl-1,3-dioxetan-2-yl)pyrazol-1-yl]piperidine
PubChem CID70903493
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[4-(4-methyl-1,3-dioxetan-2-yl)pyrazol-1-yl]piperidine
SMILESCC1OC(c2cnn(C3CCNCC3)c2)O1
InChIInChI=1S/C11H17N3O2/c1-8-15-11(16-8)9-6-13-14(7-9)10-2-4-12-5-3-10/h6-8,10-12H,2-5H2,1H3
InChIKeyOFFSRAUSMPJFEU-UHFFFAOYSA-N
XLogP1.20
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(4-methyl-1,3-dioxetan-2-yl)pyrazol-1-yl]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-[4-(4-methyl-1,3-dioxetan-2-yl)pyrazol-1-yl]piperidine?
The IUPAC name of 4-[4-(4-methyl-1,3-dioxetan-2-yl)pyrazol-1-yl]piperidine (CID 70903493) is 4-[4-(4-methyl-1,3-dioxetan-2-yl)pyrazol-1-yl]piperidine.
What is the SMILES notation for 4-[4-(4-methyl-1,3-dioxetan-2-yl)pyrazol-1-yl]piperidine?
The canonical SMILES for 4-[4-(4-methyl-1,3-dioxetan-2-yl)pyrazol-1-yl]piperidine is CC1OC(c2cnn(C3CCNCC3)c2)O1.
What is the InChIKey of 4-[4-(4-methyl-1,3-dioxetan-2-yl)pyrazol-1-yl]piperidine?
The InChIKey is OFFSRAUSMPJFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-15-11(16-8)9-6-13-14(7-9)10-2-4-12-5-3-10/h6-8,10-12H,2-5H2,1H3.
What are the key properties of 4-[4-(4-methyl-1,3-dioxetan-2-yl)pyrazol-1-yl]piperidine?
4-[4-(4-methyl-1,3-dioxetan-2-yl)pyrazol-1-yl]piperidine has a molecular weight of 223.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methyl-1,3-dioxetan-2-yl)pyrazol-1-yl]piperidine is sourced from PubChem (CID 70903493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).