4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]piperidine

C11H16F3N3O — CID 97180357

IUPAC4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]piperidine
SMILESCn1nc(C(F)(F)F)cc1OCC1CCNCC1
InChIInChI=1S/C11H16F3N3O/c1-17-10(6-9(16-17)11(12,13)14)18-7-8-2-4-15-5-3-8/h6,8,15H,2-5,7H2,1H3
InChIKeyAJAQTHPCLAKAIQ-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.82
Rot. Bonds3

About 4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]piperidine

4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]piperidine (PubChem CID 97180357) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]piperidine.

Molecular Properties

Compound Name4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]piperidine
PubChem CID97180357
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]piperidine
SMILESCn1nc(C(F)(F)F)cc1OCC1CCNCC1
InChIInChI=1S/C11H16F3N3O/c1-17-10(6-9(16-17)11(12,13)14)18-7-8-2-4-15-5-3-8/h6,8,15H,2-5,7H2,1H3
InChIKeyAJAQTHPCLAKAIQ-UHFFFAOYSA-N
XLogP1.82
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]piperidine?
The IUPAC name of 4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]piperidine (CID 97180357) is 4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]piperidine.
What is the SMILES notation for 4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]piperidine?
The canonical SMILES for 4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]piperidine is Cn1nc(C(F)(F)F)cc1OCC1CCNCC1.
What is the InChIKey of 4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]piperidine?
The InChIKey is AJAQTHPCLAKAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-17-10(6-9(16-17)11(12,13)14)18-7-8-2-4-15-5-3-8/h6,8,15H,2-5,7H2,1H3.
What are the key properties of 4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]piperidine?
4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]piperidine has a molecular weight of 263.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]piperidine is sourced from PubChem (CID 97180357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).