1-(oxolan-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine

C14H20F3N3O — CID 71927080

IUPAC1-(oxolan-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
SMILESFC(F)(F)c1cc(C2CCCN(CC3CCOC3)C2)[nH]n1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)13-6-12(18-19-13)11-2-1-4-20(8-11)7-10-3-5-21-9-10/h6,10-11H,1-5,7-9H2,(H,18,19)
InChIKeyLUEVLPFBXRFDMK-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.64
Rot. Bonds3

About 1-(oxolan-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine

1-(oxolan-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 71927080) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-(oxolan-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
PubChem CID71927080
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name1-(oxolan-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
SMILESFC(F)(F)c1cc(C2CCCN(CC3CCOC3)C2)[nH]n1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)13-6-12(18-19-13)11-2-1-4-20(8-11)7-10-3-5-21-9-10/h6,10-11H,1-5,7-9H2,(H,18,19)
InChIKeyLUEVLPFBXRFDMK-UHFFFAOYSA-N
XLogP2.64
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 83404059
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CID 83404613
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CID 83850533
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CID 121458459
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CID 142021337
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CID 169691875
CID 169691875

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-(oxolan-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine (CID 71927080) is 1-(oxolan-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-(oxolan-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-(oxolan-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine is FC(F)(F)c1cc(C2CCCN(CC3CCOC3)C2)[nH]n1.
What is the InChIKey of 1-(oxolan-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is LUEVLPFBXRFDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c15-14(16,17)13-6-12(18-19-13)11-2-1-4-20(8-11)7-10-3-5-21-9-10/h6,10-11H,1-5,7-9H2,(H,18,19).
What are the key properties of 1-(oxolan-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
1-(oxolan-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 303.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 71927080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).