4-[3-(trifluoromethyl)piperidin-1-yl]pyrrolidin-3-ol

C10H17F3N2O — CID 63704469

IUPAC4-[3-(trifluoromethyl)piperidin-1-yl]pyrrolidin-3-ol
SMILESOC1CNCC1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)7-2-1-3-15(6-7)8-4-14-5-9(8)16/h7-9,14,16H,1-6H2
InChIKeyYCQGQNOOBOCNNN-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.59
Rot. Bonds1

About 4-[3-(trifluoromethyl)piperidin-1-yl]pyrrolidin-3-ol

4-[3-(trifluoromethyl)piperidin-1-yl]pyrrolidin-3-ol (PubChem CID 63704469) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)piperidin-1-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)piperidin-1-yl]pyrrolidin-3-ol
PubChem CID63704469
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name4-[3-(trifluoromethyl)piperidin-1-yl]pyrrolidin-3-ol
SMILESOC1CNCC1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)7-2-1-3-15(6-7)8-4-14-5-9(8)16/h7-9,14,16H,1-6H2
InChIKeyYCQGQNOOBOCNNN-UHFFFAOYSA-N
XLogP0.59
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)piperidin-1-yl]pyrrolidin-3-ol?
The IUPAC name of 4-[3-(trifluoromethyl)piperidin-1-yl]pyrrolidin-3-ol (CID 63704469) is 4-[3-(trifluoromethyl)piperidin-1-yl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[3-(trifluoromethyl)piperidin-1-yl]pyrrolidin-3-ol?
The canonical SMILES for 4-[3-(trifluoromethyl)piperidin-1-yl]pyrrolidin-3-ol is OC1CNCC1N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-[3-(trifluoromethyl)piperidin-1-yl]pyrrolidin-3-ol?
The InChIKey is YCQGQNOOBOCNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c11-10(12,13)7-2-1-3-15(6-7)8-4-14-5-9(8)16/h7-9,14,16H,1-6H2.
What are the key properties of 4-[3-(trifluoromethyl)piperidin-1-yl]pyrrolidin-3-ol?
4-[3-(trifluoromethyl)piperidin-1-yl]pyrrolidin-3-ol has a molecular weight of 238.25 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)piperidin-1-yl]pyrrolidin-3-ol is sourced from PubChem (CID 63704469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).