1-ethyl-4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]piperidine

C13H22FN3O — CID 176691876

IUPAC1-ethyl-4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]piperidine
SMILESCCN1CCC(c2c(F)cnn2CCOC)CC1
InChIInChI=1S/C13H22FN3O/c1-3-16-6-4-11(5-7-16)13-12(14)10-15-17(13)8-9-18-2/h10-11H,3-9H2,1-2H3
InChIKeySYSLIRPHNSJACT-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.87
Rot. Bonds5

About 1-ethyl-4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]piperidine

1-ethyl-4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]piperidine (PubChem CID 176691876) has the molecular formula C13H22FN3O and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-ethyl-4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-ethyl-4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]piperidine
PubChem CID176691876
Molecular FormulaC13H22FN3O
Molecular Weight255.34 g/mol
Exact Mass255.17
IUPAC Name1-ethyl-4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]piperidine
SMILESCCN1CCC(c2c(F)cnn2CCOC)CC1
InChIInChI=1S/C13H22FN3O/c1-3-16-6-4-11(5-7-16)13-12(14)10-15-17(13)8-9-18-2/h10-11H,3-9H2,1-2H3
InChIKeySYSLIRPHNSJACT-UHFFFAOYSA-N
XLogP1.87
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]piperidine?
The IUPAC name of 1-ethyl-4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]piperidine (CID 176691876) is 1-ethyl-4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-ethyl-4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]piperidine?
The canonical SMILES for 1-ethyl-4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]piperidine is CCN1CCC(c2c(F)cnn2CCOC)CC1.
What is the InChIKey of 1-ethyl-4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]piperidine?
The InChIKey is SYSLIRPHNSJACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3O/c1-3-16-6-4-11(5-7-16)13-12(14)10-15-17(13)8-9-18-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-ethyl-4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]piperidine?
1-ethyl-4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]piperidine has a molecular weight of 255.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-fluoro-1-(2-methoxyethyl)pyrazol-5-yl]piperidine is sourced from PubChem (CID 176691876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).