3-fluoro-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidine

C12H20FN3 — CID 70847466

IUPAC3-fluoro-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidine
SMILESCC(C)Cc1cnn(C2CCNCC2F)c1
InChIInChI=1S/C12H20FN3/c1-9(2)5-10-6-15-16(8-10)12-3-4-14-7-11(12)13/h6,8-9,11-12,14H,3-5,7H2,1-2H3
InChIKeyVYOHZPKDPCECSA-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.95
Rot. Bonds3

About 3-fluoro-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidine

3-fluoro-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidine (PubChem CID 70847466) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-fluoro-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidine.

Molecular Properties

Compound Name3-fluoro-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidine
PubChem CID70847466
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name3-fluoro-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidine
SMILESCC(C)Cc1cnn(C2CCNCC2F)c1
InChIInChI=1S/C12H20FN3/c1-9(2)5-10-6-15-16(8-10)12-3-4-14-7-11(12)13/h6,8-9,11-12,14H,3-5,7H2,1-2H3
InChIKeyVYOHZPKDPCECSA-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidine?
The IUPAC name of 3-fluoro-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidine (CID 70847466) is 3-fluoro-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidine.
What is the SMILES notation for 3-fluoro-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidine?
The canonical SMILES for 3-fluoro-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidine is CC(C)Cc1cnn(C2CCNCC2F)c1.
What is the InChIKey of 3-fluoro-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidine?
The InChIKey is VYOHZPKDPCECSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-9(2)5-10-6-15-16(8-10)12-3-4-14-7-11(12)13/h6,8-9,11-12,14H,3-5,7H2,1-2H3.
What are the key properties of 3-fluoro-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidine?
3-fluoro-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidine has a molecular weight of 225.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidine is sourced from PubChem (CID 70847466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).