2-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]piperidine

C12H20FN3 — CID 103132906

IUPAC2-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]piperidine
SMILESCn1ccc(C(C)(F)CC2CCCCN2)n1
InChIInChI=1S/C12H20FN3/c1-12(13,11-6-8-16(2)15-11)9-10-5-3-4-7-14-10/h6,8,10,14H,3-5,7,9H2,1-2H3
InChIKeyHUPZHFFTFKXDDI-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.14
Rot. Bonds3

About 2-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]piperidine

2-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]piperidine (PubChem CID 103132906) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]piperidine.

Molecular Properties

Compound Name2-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]piperidine
PubChem CID103132906
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name2-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]piperidine
SMILESCn1ccc(C(C)(F)CC2CCCCN2)n1
InChIInChI=1S/C12H20FN3/c1-12(13,11-6-8-16(2)15-11)9-10-5-3-4-7-14-10/h6,8,10,14H,3-5,7,9H2,1-2H3
InChIKeyHUPZHFFTFKXDDI-UHFFFAOYSA-N
XLogP2.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]piperidine?
The IUPAC name of 2-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]piperidine (CID 103132906) is 2-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]piperidine.
What is the SMILES notation for 2-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]piperidine?
The canonical SMILES for 2-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]piperidine is Cn1ccc(C(C)(F)CC2CCCCN2)n1.
What is the InChIKey of 2-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]piperidine?
The InChIKey is HUPZHFFTFKXDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-12(13,11-6-8-16(2)15-11)9-10-5-3-4-7-14-10/h6,8,10,14H,3-5,7,9H2,1-2H3.
What are the key properties of 2-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]piperidine?
2-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]piperidine has a molecular weight of 225.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-2-(1-methylpyrazol-3-yl)propyl]piperidine is sourced from PubChem (CID 103132906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).