3-(piperidin-1-ylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol

C16H22F3N3O — CID 70711048

IUPAC3-(piperidin-1-ylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
SMILESOC1(CN2CCCCC2)CCN(c2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)13-5-4-6-14(20-13)22-10-7-15(23,12-22)11-21-8-2-1-3-9-21/h4-6,23H,1-3,7-12H2
InChIKeyGAENRBPROOZPPC-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.53
Rot. Bonds3

About 3-(piperidin-1-ylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol

3-(piperidin-1-ylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 70711048) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
PubChem CID70711048
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC Name3-(piperidin-1-ylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
SMILESOC1(CN2CCCCC2)CCN(c2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)13-5-4-6-14(20-13)22-10-7-15(23,12-22)11-21-8-2-1-3-9-21/h4-6,23H,1-3,7-12H2
InChIKeyGAENRBPROOZPPC-UHFFFAOYSA-N
XLogP2.53
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of 3-(piperidin-1-ylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol (CID 70711048) is 3-(piperidin-1-ylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for 3-(piperidin-1-ylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol is OC1(CN2CCCCC2)CCN(c2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of 3-(piperidin-1-ylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is GAENRBPROOZPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O/c17-16(18,19)13-5-4-6-14(20-13)22-10-7-15(23,12-22)11-21-8-2-1-3-9-21/h4-6,23H,1-3,7-12H2.
What are the key properties of 3-(piperidin-1-ylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
3-(piperidin-1-ylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 329.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 70711048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).