4-(1-ethyl-4-fluoropyrazol-3-yl)-1-propan-2-ylpiperidine

C13H22FN3 — CID 176691988

IUPAC4-(1-ethyl-4-fluoropyrazol-3-yl)-1-propan-2-ylpiperidine
SMILESCCn1cc(F)c(C2CCN(C(C)C)CC2)n1
InChIInChI=1S/C13H22FN3/c1-4-17-9-12(14)13(15-17)11-5-7-16(8-6-11)10(2)3/h9-11H,4-8H2,1-3H3
InChIKeyBSLACEAGXULMEH-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.63
Rot. Bonds3

About 4-(1-ethyl-4-fluoropyrazol-3-yl)-1-propan-2-ylpiperidine

4-(1-ethyl-4-fluoropyrazol-3-yl)-1-propan-2-ylpiperidine (PubChem CID 176691988) has the molecular formula C13H22FN3 and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-(1-ethyl-4-fluoropyrazol-3-yl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(1-ethyl-4-fluoropyrazol-3-yl)-1-propan-2-ylpiperidine
PubChem CID176691988
Molecular FormulaC13H22FN3
Molecular Weight239.34 g/mol
Exact Mass239.18
IUPAC Name4-(1-ethyl-4-fluoropyrazol-3-yl)-1-propan-2-ylpiperidine
SMILESCCn1cc(F)c(C2CCN(C(C)C)CC2)n1
InChIInChI=1S/C13H22FN3/c1-4-17-9-12(14)13(15-17)11-5-7-16(8-6-11)10(2)3/h9-11H,4-8H2,1-3H3
InChIKeyBSLACEAGXULMEH-UHFFFAOYSA-N
XLogP2.63
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-4-fluoropyrazol-3-yl)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(1-ethyl-4-fluoropyrazol-3-yl)-1-propan-2-ylpiperidine (CID 176691988) is 4-(1-ethyl-4-fluoropyrazol-3-yl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(1-ethyl-4-fluoropyrazol-3-yl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(1-ethyl-4-fluoropyrazol-3-yl)-1-propan-2-ylpiperidine is CCn1cc(F)c(C2CCN(C(C)C)CC2)n1.
What is the InChIKey of 4-(1-ethyl-4-fluoropyrazol-3-yl)-1-propan-2-ylpiperidine?
The InChIKey is BSLACEAGXULMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3/c1-4-17-9-12(14)13(15-17)11-5-7-16(8-6-11)10(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-(1-ethyl-4-fluoropyrazol-3-yl)-1-propan-2-ylpiperidine?
4-(1-ethyl-4-fluoropyrazol-3-yl)-1-propan-2-ylpiperidine has a molecular weight of 239.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-4-fluoropyrazol-3-yl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 176691988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).