(3S)-4-(4-ethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine

C13H20FN3O — CID 146568024

IUPAC(3S)-4-(4-ethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine
SMILESCCc1cnn(C2CCN(C3COC3)C[C@@H]2F)c1
InChIInChI=1S/C13H20FN3O/c1-2-10-5-15-17(6-10)13-3-4-16(7-12(13)14)11-8-18-9-11/h5-6,11-13H,2-4,7-9H2,1H3/t12-,13?/m0/s1
InChIKeyORSBKGRMERLDAC-UEWDXFNNSA-N
MW253.32 g/mol
LogP1.43
Rot. Bonds3

About (3S)-4-(4-ethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine

(3S)-4-(4-ethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine (PubChem CID 146568024) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is (3S)-4-(4-ethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name(3S)-4-(4-ethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine
PubChem CID146568024
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name(3S)-4-(4-ethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine
SMILESCCc1cnn(C2CCN(C3COC3)C[C@@H]2F)c1
InChIInChI=1S/C13H20FN3O/c1-2-10-5-15-17(6-10)13-3-4-16(7-12(13)14)11-8-18-9-11/h5-6,11-13H,2-4,7-9H2,1H3/t12-,13?/m0/s1
InChIKeyORSBKGRMERLDAC-UEWDXFNNSA-N
XLogP1.43
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-(4-ethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine?
The IUPAC name of (3S)-4-(4-ethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine (CID 146568024) is (3S)-4-(4-ethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for (3S)-4-(4-ethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine?
The canonical SMILES for (3S)-4-(4-ethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine is CCc1cnn(C2CCN(C3COC3)C[C@@H]2F)c1.
What is the InChIKey of (3S)-4-(4-ethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine?
The InChIKey is ORSBKGRMERLDAC-UEWDXFNNSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-2-10-5-15-17(6-10)13-3-4-16(7-12(13)14)11-8-18-9-11/h5-6,11-13H,2-4,7-9H2,1H3/t12-,13?/m0/s1.
What are the key properties of (3S)-4-(4-ethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine?
(3S)-4-(4-ethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine has a molecular weight of 253.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(4-ethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 146568024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).