4-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethylpiperidin-4-ol

C13H23N3O — CID 114235666

IUPAC4-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethylpiperidin-4-ol
SMILESCc1cc(CC2(O)CCNCC2(C)C)n(C)n1
InChIInChI=1S/C13H23N3O/c1-10-7-11(16(4)15-10)8-13(17)5-6-14-9-12(13,2)3/h7,14,17H,5-6,8-9H2,1-4H3
InChIKeyNNQYNAJAGPHEDE-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.02
Rot. Bonds2

About 4-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethylpiperidin-4-ol

4-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethylpiperidin-4-ol (PubChem CID 114235666) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethylpiperidin-4-ol
PubChem CID114235666
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethylpiperidin-4-ol
SMILESCc1cc(CC2(O)CCNCC2(C)C)n(C)n1
InChIInChI=1S/C13H23N3O/c1-10-7-11(16(4)15-10)8-13(17)5-6-14-9-12(13,2)3/h7,14,17H,5-6,8-9H2,1-4H3
InChIKeyNNQYNAJAGPHEDE-UHFFFAOYSA-N
XLogP1.02
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethylpiperidin-4-ol 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-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethylpiperidin-4-ol?
The IUPAC name of 4-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethylpiperidin-4-ol (CID 114235666) is 4-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethylpiperidin-4-ol.
What is the SMILES notation for 4-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethylpiperidin-4-ol?
The canonical SMILES for 4-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethylpiperidin-4-ol is Cc1cc(CC2(O)CCNCC2(C)C)n(C)n1.
What is the InChIKey of 4-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethylpiperidin-4-ol?
The InChIKey is NNQYNAJAGPHEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-7-11(16(4)15-10)8-13(17)5-6-14-9-12(13,2)3/h7,14,17H,5-6,8-9H2,1-4H3.
What are the key properties of 4-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethylpiperidin-4-ol?
4-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethylpiperidin-4-ol has a molecular weight of 237.35 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethylpiperidin-4-ol is sourced from PubChem (CID 114235666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).