4-[3,3-difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine

C12H19F2N3 — CID 18187752

IUPAC4-[3,3-difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine
SMILESCn1cc(C(F)(F)CCC2CCNCC2)cn1
InChIInChI=1S/C12H19F2N3/c1-17-9-11(8-16-17)12(13,14)5-2-10-3-6-15-7-4-10/h8-10,15H,2-7H2,1H3
InChIKeyYZMZLNPCYBILEC-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.29
Rot. Bonds4

About 4-[3,3-difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine

4-[3,3-difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine (PubChem CID 18187752) has the molecular formula C12H19F2N3 and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-[3,3-difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine.

Molecular Properties

Compound Name4-[3,3-difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine
PubChem CID18187752
Molecular FormulaC12H19F2N3
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name4-[3,3-difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine
SMILESCn1cc(C(F)(F)CCC2CCNCC2)cn1
InChIInChI=1S/C12H19F2N3/c1-17-9-11(8-16-17)12(13,14)5-2-10-3-6-15-7-4-10/h8-10,15H,2-7H2,1H3
InChIKeyYZMZLNPCYBILEC-UHFFFAOYSA-N
XLogP2.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3,3-difluoro-3-(1-methylpyrazol-4-yl)propyl]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-[3,3-difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine?
The IUPAC name of 4-[3,3-difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine (CID 18187752) is 4-[3,3-difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine.
What is the SMILES notation for 4-[3,3-difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine?
The canonical SMILES for 4-[3,3-difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine is Cn1cc(C(F)(F)CCC2CCNCC2)cn1.
What is the InChIKey of 4-[3,3-difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine?
The InChIKey is YZMZLNPCYBILEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3/c1-17-9-11(8-16-17)12(13,14)5-2-10-3-6-15-7-4-10/h8-10,15H,2-7H2,1H3.
What are the key properties of 4-[3,3-difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine?
4-[3,3-difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine has a molecular weight of 243.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine is sourced from PubChem (CID 18187752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).