1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(fluoromethyl)piperidine

C12H20FN3 — CID 126790761

IUPAC1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(fluoromethyl)piperidine
SMILESCc1cc(CN2CCC(CF)CC2)n(C)n1
InChIInChI=1S/C12H20FN3/c1-10-7-12(15(2)14-10)9-16-5-3-11(8-13)4-6-16/h7,11H,3-6,8-9H2,1-2H3
InChIKeyOBVFUPWPLKPWGS-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.91
Rot. Bonds3

About 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(fluoromethyl)piperidine

1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(fluoromethyl)piperidine (PubChem CID 126790761) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(fluoromethyl)piperidine.

Molecular Properties

Compound Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(fluoromethyl)piperidine
PubChem CID126790761
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(fluoromethyl)piperidine
SMILESCc1cc(CN2CCC(CF)CC2)n(C)n1
InChIInChI=1S/C12H20FN3/c1-10-7-12(15(2)14-10)9-16-5-3-11(8-13)4-6-16/h7,11H,3-6,8-9H2,1-2H3
InChIKeyOBVFUPWPLKPWGS-UHFFFAOYSA-N
XLogP1.91
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(fluoromethyl)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 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(fluoromethyl)piperidine?
The IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(fluoromethyl)piperidine (CID 126790761) is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(fluoromethyl)piperidine.
What is the SMILES notation for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(fluoromethyl)piperidine?
The canonical SMILES for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(fluoromethyl)piperidine is Cc1cc(CN2CCC(CF)CC2)n(C)n1.
What is the InChIKey of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(fluoromethyl)piperidine?
The InChIKey is OBVFUPWPLKPWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-10-7-12(15(2)14-10)9-16-5-3-11(8-13)4-6-16/h7,11H,3-6,8-9H2,1-2H3.
What are the key properties of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(fluoromethyl)piperidine?
1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(fluoromethyl)piperidine has a molecular weight of 225.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(fluoromethyl)piperidine is sourced from PubChem (CID 126790761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).