1-(3-fluorooxetan-3-yl)-4-(3-methylpyrazol-1-yl)piperidine

C12H18FN3O — CID 141336746

IUPAC1-(3-fluorooxetan-3-yl)-4-(3-methylpyrazol-1-yl)piperidine
SMILESCc1ccn(C2CCN(C3(F)COC3)CC2)n1
InChIInChI=1S/C12H18FN3O/c1-10-2-7-16(14-10)11-3-5-15(6-4-11)12(13)8-17-9-12/h2,7,11H,3-6,8-9H2,1H3
InChIKeyWUGWSYWRVVQRIM-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.52
Rot. Bonds2

About 1-(3-fluorooxetan-3-yl)-4-(3-methylpyrazol-1-yl)piperidine

1-(3-fluorooxetan-3-yl)-4-(3-methylpyrazol-1-yl)piperidine (PubChem CID 141336746) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-(3-fluorooxetan-3-yl)-4-(3-methylpyrazol-1-yl)piperidine.

Molecular Properties

Compound Name1-(3-fluorooxetan-3-yl)-4-(3-methylpyrazol-1-yl)piperidine
PubChem CID141336746
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name1-(3-fluorooxetan-3-yl)-4-(3-methylpyrazol-1-yl)piperidine
SMILESCc1ccn(C2CCN(C3(F)COC3)CC2)n1
InChIInChI=1S/C12H18FN3O/c1-10-2-7-16(14-10)11-3-5-15(6-4-11)12(13)8-17-9-12/h2,7,11H,3-6,8-9H2,1H3
InChIKeyWUGWSYWRVVQRIM-UHFFFAOYSA-N
XLogP1.52
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(oxan-4-yl)-1H-pyrazole
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Cambridge id 5213881
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4-[(1-ethyl-1H-pyrazol-3-yl)methyl]-2-(2-methoxyethyl)morpholine
CID 91843740
2-Methyl-4-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]morpholine
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3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole
CID 124731640
1-[Di(propan-2-yl)amino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 22958930
1-(2-Propan-2-yloxyethyl)-3-(trifluoromethyl)pyrazole
CID 104097142
1-(2-Methoxyethyl)-3-(trifluoromethyl)pyrazole
CID 115596520
1-[2-[(2-Methylpropan-2-yl)oxy]ethyl]-3-(trifluoromethyl)pyrazole
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1-(Oxan-4-yl)-3-(trifluoromethyl)pyrazole
CID 116023728
1-[3-Fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine
CID 118288785

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorooxetan-3-yl)-4-(3-methylpyrazol-1-yl)piperidine?
The IUPAC name of 1-(3-fluorooxetan-3-yl)-4-(3-methylpyrazol-1-yl)piperidine (CID 141336746) is 1-(3-fluorooxetan-3-yl)-4-(3-methylpyrazol-1-yl)piperidine.
What is the SMILES notation for 1-(3-fluorooxetan-3-yl)-4-(3-methylpyrazol-1-yl)piperidine?
The canonical SMILES for 1-(3-fluorooxetan-3-yl)-4-(3-methylpyrazol-1-yl)piperidine is Cc1ccn(C2CCN(C3(F)COC3)CC2)n1.
What is the InChIKey of 1-(3-fluorooxetan-3-yl)-4-(3-methylpyrazol-1-yl)piperidine?
The InChIKey is WUGWSYWRVVQRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-10-2-7-16(14-10)11-3-5-15(6-4-11)12(13)8-17-9-12/h2,7,11H,3-6,8-9H2,1H3.
What are the key properties of 1-(3-fluorooxetan-3-yl)-4-(3-methylpyrazol-1-yl)piperidine?
1-(3-fluorooxetan-3-yl)-4-(3-methylpyrazol-1-yl)piperidine has a molecular weight of 239.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorooxetan-3-yl)-4-(3-methylpyrazol-1-yl)piperidine is sourced from PubChem (CID 141336746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).