4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol

C10H14F3N3O — CID 81041792

IUPAC4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol
SMILESOC1(Cn2cc(C(F)(F)F)cn2)CCNCC1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)8-5-15-16(6-8)7-9(17)1-3-14-4-2-9/h5-6,14,17H,1-4,7H2
InChIKeyLOTLMRVKLLXDSV-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.02
Rot. Bonds2

About 4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol

4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol (PubChem CID 81041792) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol
PubChem CID81041792
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol
SMILESOC1(Cn2cc(C(F)(F)F)cn2)CCNCC1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)8-5-15-16(6-8)7-9(17)1-3-14-4-2-9/h5-6,14,17H,1-4,7H2
InChIKeyLOTLMRVKLLXDSV-UHFFFAOYSA-N
XLogP1.02
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol (CID 81041792) is 4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol is OC1(Cn2cc(C(F)(F)F)cn2)CCNCC1.
What is the InChIKey of 4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol?
The InChIKey is LOTLMRVKLLXDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)8-5-15-16(6-8)7-9(17)1-3-14-4-2-9/h5-6,14,17H,1-4,7H2.
What are the key properties of 4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol?
4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol has a molecular weight of 249.24 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 81041792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).