1-[2-(oxolan-2-ylmethoxy)ethyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine

C16H24F3N3O2 — CID 71927086

IUPAC1-[2-(oxolan-2-ylmethoxy)ethyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
SMILESFC(F)(F)c1cc(C2CCCN(CCOCC3CCCO3)C2)[nH]n1
InChIInChI=1S/C16H24F3N3O2/c17-16(18,19)15-9-14(20-21-15)12-3-1-5-22(10-12)6-8-23-11-13-4-2-7-24-13/h9,12-13H,1-8,10-11H2,(H,20,21)
InChIKeyRGEXEPSMIXAKMX-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.80
Rot. Bonds6

About 1-[2-(oxolan-2-ylmethoxy)ethyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine

1-[2-(oxolan-2-ylmethoxy)ethyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 71927086) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-[2-(oxolan-2-ylmethoxy)ethyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-[2-(oxolan-2-ylmethoxy)ethyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
PubChem CID71927086
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC Name1-[2-(oxolan-2-ylmethoxy)ethyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
SMILESFC(F)(F)c1cc(C2CCCN(CCOCC3CCCO3)C2)[nH]n1
InChIInChI=1S/C16H24F3N3O2/c17-16(18,19)15-9-14(20-21-15)12-3-1-5-22(10-12)6-8-23-11-13-4-2-7-24-13/h9,12-13H,1-8,10-11H2,(H,20,21)
InChIKeyRGEXEPSMIXAKMX-UHFFFAOYSA-N
XLogP2.80
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-ylmethoxy)ethyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-[2-(oxolan-2-ylmethoxy)ethyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine (CID 71927086) is 1-[2-(oxolan-2-ylmethoxy)ethyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-[2-(oxolan-2-ylmethoxy)ethyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-[2-(oxolan-2-ylmethoxy)ethyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine is FC(F)(F)c1cc(C2CCCN(CCOCC3CCCO3)C2)[nH]n1.
What is the InChIKey of 1-[2-(oxolan-2-ylmethoxy)ethyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is RGEXEPSMIXAKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c17-16(18,19)15-9-14(20-21-15)12-3-1-5-22(10-12)6-8-23-11-13-4-2-7-24-13/h9,12-13H,1-8,10-11H2,(H,20,21).
What are the key properties of 1-[2-(oxolan-2-ylmethoxy)ethyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
1-[2-(oxolan-2-ylmethoxy)ethyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 347.38 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-ylmethoxy)ethyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 71927086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).